1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol

C15H26O — CID 129098102

IUPAC1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol
SMILESCC1=C(C(C)O)C2(C)CCCCC2CC1C
InChIInChI=1S/C15H26O/c1-10-9-13-7-5-6-8-15(13,4)14(11(10)2)12(3)16/h10,12-13,16H,5-9H2,1-4H3
InChIKeySYZFEYYNQRKILS-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.92
Rot. Bonds1

About 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol

1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol (PubChem CID 129098102) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol
PubChem CID129098102
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol
SMILESCC1=C(C(C)O)C2(C)CCCCC2CC1C
InChIInChI=1S/C15H26O/c1-10-9-13-7-5-6-8-15(13,4)14(11(10)2)12(3)16/h10,12-13,16H,5-9H2,1-4H3
InChIKeySYZFEYYNQRKILS-UHFFFAOYSA-N
XLogP3.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol?
The IUPAC name of 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol (CID 129098102) is 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol.
What is the SMILES notation for 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol?
The canonical SMILES for 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol is CC1=C(C(C)O)C2(C)CCCCC2CC1C.
What is the InChIKey of 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol?
The InChIKey is SYZFEYYNQRKILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-10-9-13-7-5-6-8-15(13,4)14(11(10)2)12(3)16/h10,12-13,16H,5-9H2,1-4H3.
What are the key properties of 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol?
1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol has a molecular weight of 222.37 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,8a-trimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-1-yl)ethanol is sourced from PubChem (CID 129098102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).