methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate

C76H128O10 — CID 158257717

About methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate

methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate (PubChem CID 158257717) has the molecular formula C76H128O10 and a molecular weight of 1201.85 g/mol. Its IUPAC name is methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate.

Molecular Properties

• Compound Name: methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate
• PubChem CID: 158257717
• Molecular Formula: C76H128O10
• Molecular Weight: 1201.85 g/mol
• Exact Mass: 1200.95
• IUPAC Name: methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate
• SMILES: C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccc2c(c1)CCCC2.CCC(C)(C)C(=O)OC1CCCc2cc(OC)ccc21.CCC(C)C(=O)OC(C)c1ccc2c(c1)CCCC2.CCC(C)C(=O)OC1CCCc2cc(OC)ccc21
• InChI: InChI=1S/C18H26O2.C17H24O3.C17H24O2.C16H22O3.8CH4/c1-5-18(3,4)17(19)20-13(2)15-11-10-14-8-6-7-9-16(14)12-15;1-5-17(2,3)16(18)20-15-8-6-7-12-11-13(19-4)9-10-14(12)15;1-4-12(2)17(18)19-13(3)15-10-9-14-7-5-6-8-16(14)11-15;1-4-11(2)16(17)19-15-7-5-6-12-10-13(18-3)8-9-14(12)15;;;;;;;;/h10-13H,5-9H2,1-4H3;9-11,15H,5-8H2,1-4H3;9-13H,4-8H2,1-3H3;8-11,15H,4-7H2,1-3H3;8*1H4
• InChIKey: GHMIGSWJMOPSHD-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 123.66 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1201.85
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate?

The IUPAC name of methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate (CID 158257717) is methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate.

What is the SMILES notation for methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate?

The canonical SMILES for methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate is C.C.C.C.C.C.C.C.CCC(C)(C)C(=O)OC(C)c1ccc2c(c1)CCCC2.CCC(C)(C)C(=O)OC1CCCc2cc(OC)ccc21.CCC(C)C(=O)OC(C)c1ccc2c(c1)CCCC2.CCC(C)C(=O)OC1CCCc2cc(OC)ccc21.

What is the InChIKey of methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate?

The InChIKey is GHMIGSWJMOPSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2.C17H24O3.C17H24O2.C16H22O3.8CH4/c1-5-18(3,4)17(19)20-13(2)15-11-10-14-8-6-7-9-16(14)12-15;1-5-17(2,3)16(18)20-15-8-6-7-12-11-13(19-4)9-10-14(12)15;1-4-12(2)17(18)19-13(3)15-10-9-14-7-5-6-8-16(14)11-15;1-4-11(2)16(17)19-15-7-5-6-12-10-13(18-3)8-9-14(12)15;;;;;;;;/h10-13H,5-9H2,1-4H3;9-11,15H,5-8H2,1-4H3;9-13H,4-8H2,1-3H3;8-11,15H,4-7H2,1-3H3;8*1H4.

What are the key properties of methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate?

methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate has a molecular weight of 1201.85 g/mol, XLogP of 21.62, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate;(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2-methylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2,2-dimethylbutanoate;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl 2-methylbutanoate is sourced from PubChem (CID 158257717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).