(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol

C13H22O — CID 3022560

IUPAC(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
SMILESCC1(C)CCCC2=C1C(CO)CCC2
InChIInChI=1S/C13H22O/c1-13(2)8-4-7-10-5-3-6-11(9-14)12(10)13/h11,14H,3-9H2,1-2H3
InChIKeyIJDDUXZCWJWQCC-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.29
Rot. Bonds1

About (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol

(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol (PubChem CID 3022560) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol.

Molecular Properties

Compound Name(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
PubChem CID3022560
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol
SMILESCC1(C)CCCC2=C1C(CO)CCC2
InChIInChI=1S/C13H22O/c1-13(2)8-4-7-10-5-3-6-11(9-14)12(10)13/h11,14H,3-9H2,1-2H3
InChIKeyIJDDUXZCWJWQCC-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.29
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 (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol?
The IUPAC name of (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol (CID 3022560) is (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol.
What is the SMILES notation for (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol?
The canonical SMILES for (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol is CC1(C)CCCC2=C1C(CO)CCC2.
What is the InChIKey of (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol?
The InChIKey is IJDDUXZCWJWQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-13(2)8-4-7-10-5-3-6-11(9-14)12(10)13/h11,14H,3-9H2,1-2H3.
What are the key properties of (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol?
(8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol has a molecular weight of 194.32 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-1-yl)methanol is sourced from PubChem (CID 3022560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).