3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol

C15H22O — CID 163186211

IUPAC3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
SMILESCC1=CCC(C(C)C)C2CC(C)=C(O)C=C12
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,8-9,12,14,16H,6-7H2,1-4H3
InChIKeyQXELPXQYJPSRCP-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.39
Rot. Bonds1

About 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol

3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol (PubChem CID 163186211) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
PubChem CID163186211
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
SMILESCC1=CCC(C(C)C)C2CC(C)=C(O)C=C12
InChIInChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,8-9,12,14,16H,6-7H2,1-4H3
InChIKeyQXELPXQYJPSRCP-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Methyl-5-propan-2-ylcyclohexa-1,5-dien-1-ol
CID 13670329
(3E,5E)-2-methyl-6-(4-methylcyclohex-3-en-1-yl)hepta-3,5-dien-2-ol
CID 118715382
p-Menthadienol
CID 53249447
2,4-Di-t-butyl-4-methylphenol
CID 66643304
Octahydrophenanthren-9-ol
CID 70551647
(4S)-6-fluoro-5-methyl-4-(4-methylcyclohexen-1-yl)cyclohexa-1,5-dien-1-ol
CID 163479826
4-Butylcyclohexa-1,5-dien-1-ol
CID 58391756
4-Butan-2-ylcyclohexa-1,5-dien-1-ol
CID 117971928
3-Butylcyclohexa-1,5-dien-1-ol
CID 175919772
2,4,4-trimethyl-3-[(2E,9E,11E,13E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-2,9,11,13,17-pentaenyl]cyclohexa-1,5-dien-1-ol
CID 166593937
5,6-dimethyl-4a-methyl-5,6,7,8-tetrahydro-4H-naphthalen-2-ol
CID 134837402
3-Hydroxy-6,7,8,9-tetrahydronaphthalene
CID 168266401

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol?
The IUPAC name of 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol (CID 163186211) is 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol?
The canonical SMILES for 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol is CC1=CCC(C(C)C)C2CC(C)=C(O)C=C12.
What is the InChIKey of 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol?
The InChIKey is QXELPXQYJPSRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)12-6-5-10(3)13-8-15(16)11(4)7-14(12)13/h5,8-9,12,14,16H,6-7H2,1-4H3.
What are the key properties of 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol?
3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol has a molecular weight of 218.34 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 163186211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).