4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol

C16H28O2 — CID 163124840

IUPAC4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol
SMILESCOCC1=C(C)CC(O)C2C(C)(C)CCCC12C
InChIInChI=1S/C16H28O2/c1-11-9-13(17)14-15(2,3)7-6-8-16(14,4)12(11)10-18-5/h13-14,17H,6-10H2,1-5H3
InChIKeyCXAGZCGKJCZWFW-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.55
Rot. Bonds2

About 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol

4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol (PubChem CID 163124840) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol
PubChem CID163124840
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol
SMILESCOCC1=C(C)CC(O)C2C(C)(C)CCCC12C
InChIInChI=1S/C16H28O2/c1-11-9-13(17)14-15(2,3)7-6-8-16(14,4)12(11)10-18-5/h13-14,17H,6-10H2,1-5H3
InChIKeyCXAGZCGKJCZWFW-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol?
The IUPAC name of 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol (CID 163124840) is 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol.
What is the SMILES notation for 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol?
The canonical SMILES for 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol is COCC1=C(C)CC(O)C2C(C)(C)CCCC12C.
What is the InChIKey of 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol?
The InChIKey is CXAGZCGKJCZWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-11-9-13(17)14-15(2,3)7-6-8-16(14,4)12(11)10-18-5/h13-14,17H,6-10H2,1-5H3.
What are the key properties of 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol?
4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3,4a,8,8-tetramethyl-1,2,5,6,7,8a-hexahydronaphthalen-1-ol is sourced from PubChem (CID 163124840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).