(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol

C12H18O — CID 10932014

IUPAC(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1C[C@H](O)C[C@H]2C=C(C)CC[C@@H]12
InChIInChI=1S/C12H18O/c1-8-3-4-12-9(2)6-11(13)7-10(12)5-8/h5,10-13H,2-4,6-7H2,1H3/t10-,11+,12+/m1/s1
InChIKeySYFRWXXVNPDIDF-WOPDTQHZSA-N
MW178.27 g/mol
LogP2.67
Rot. Bonds

About (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol

(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol (PubChem CID 10932014) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
PubChem CID10932014
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
SMILESC=C1C[C@H](O)C[C@H]2C=C(C)CC[C@@H]12
InChIInChI=1S/C12H18O/c1-8-3-4-12-9(2)6-11(13)7-10(12)5-8/h5,10-13H,2-4,6-7H2,1H3/t10-,11+,12+/m1/s1
InChIKeySYFRWXXVNPDIDF-WOPDTQHZSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
CID 163193673
(1S,2S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol
CID 162908885
cis-(1R,4S)-2-methyl-6-methylidenecyclohexane-1,4-diol
CID 134964075
6-methyl-3-methylidene-3a,4,5,7a-tetrahydro-1-benzofuran
CID 22216621
5-methyl-2,3,3a,6,7,7a-hexahydroinden-1-one
CID 130027384
(2S)-2-[(1S,4aS,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]propan-1-ol
CID 162909825
3-methylcyclohex-2-en-1-ol;propane
CID 142858327
(3aR,6E,8S,10E)-8-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
CID 118701730
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
(4aS,6S,9aR)-2,6,9,9-tetramethyl-5-methylidene-4,4a,6,7,8,9a-hexahydro-3H-benzo[7]annulene
CID 11241437
6-methyl-4a,7,8,8a-tetrahydro-4H-naphthalen-1-one
CID 15690351
(2R)-2-[(3S,6S)-6-methyl-6-[2-(2,3,6-trimethyl-1-methylidene-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl)ethyl]dioxan-3-yl]propanoic acid
CID 10668152

Frequently Asked Questions

What is the IUPAC name of (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol?
The IUPAC name of (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol (CID 10932014) is (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol.
What is the SMILES notation for (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol?
The canonical SMILES for (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol is C=C1C[C@H](O)C[C@H]2C=C(C)CC[C@@H]12.
What is the InChIKey of (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol?
The InChIKey is SYFRWXXVNPDIDF-WOPDTQHZSA-N. The full InChI is InChI=1S/C12H18O/c1-8-3-4-12-9(2)6-11(13)7-10(12)5-8/h5,10-13H,2-4,6-7H2,1H3/t10-,11+,12+/m1/s1.
What are the key properties of (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol?
(2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol has a molecular weight of 178.27 g/mol, XLogP of 2.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR,8aS)-7-methyl-4-methylidene-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-2-ol is sourced from PubChem (CID 10932014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).