2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane

C18H30O2 — CID 134971521

IUPAC2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane
SMILESCC1CC=C2CC(OC3CCCCO3)CCC2(C)C1C
InChIInChI=1S/C18H30O2/c1-13-7-8-15-12-16(9-10-18(15,3)14(13)2)20-17-6-4-5-11-19-17/h8,13-14,16-17H,4-7,9-12H2,1-3H3
InChIKeySYLYBURUNATAGI-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.69
Rot. Bonds2

About 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane

2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane (PubChem CID 134971521) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane.

Molecular Properties

Compound Name2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane
PubChem CID134971521
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane
SMILESCC1CC=C2CC(OC3CCCCO3)CCC2(C)C1C
InChIInChI=1S/C18H30O2/c1-13-7-8-15-12-16(9-10-18(15,3)14(13)2)20-17-6-4-5-11-19-17/h8,13-14,16-17H,4-7,9-12H2,1-3H3
InChIKeySYLYBURUNATAGI-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
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 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane?
The IUPAC name of 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane (CID 134971521) is 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane.
What is the SMILES notation for 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane?
The canonical SMILES for 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane is CC1CC=C2CC(OC3CCCCO3)CCC2(C)C1C.
What is the InChIKey of 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane?
The InChIKey is SYLYBURUNATAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-13-7-8-15-12-16(9-10-18(15,3)14(13)2)20-17-6-4-5-11-19-17/h8,13-14,16-17H,4-7,9-12H2,1-3H3.
What are the key properties of 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane?
2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane has a molecular weight of 278.44 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4a,5,6-trimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl)oxy]oxane is sourced from PubChem (CID 134971521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).