(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol

C10H16O — CID 135068428

IUPAC(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
SMILESCC1CC[C@@H](O)[C@H]2CCC=C12
InChIInChI=1S/C10H16O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h3,7,9-11H,2,4-6H2,1H3/t7?,9-,10+/m0/s1
InChIKeyNGAMVMJRRAVMMH-VYDKEIKOSA-N
MW152.24 g/mol
LogP2.11
Rot. Bonds

About (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol

(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol (PubChem CID 135068428) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol.

Molecular Properties

Compound Name(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
PubChem CID135068428
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol
SMILESCC1CC[C@@H](O)[C@H]2CCC=C12
InChIInChI=1S/C10H16O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h3,7,9-11H,2,4-6H2,1H3/t7?,9-,10+/m0/s1
InChIKeyNGAMVMJRRAVMMH-VYDKEIKOSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.11
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

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(1R)-1-methyl-1,2,3,4,4a,5,6,7-octahydronaphthalene
CID 100929671
(2R,5R)-2-methylbicyclo[3.1.0]hex-1(6)-ene
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(6R)-7,8-dimethylbicyclo[4.2.0]oct-1-ene
CID 163443235
3-methyl-3,5,6,6a-tetrahydrocyclopenta[c]dioxole
CID 13113763
(1S,6S)-2-chloro-6-methylcyclohex-2-en-1-ol
CID 58637363
6-methyl-7-methylidenebicyclo[3.2.0]hept-1-ene
CID 163977963
2-hydroxy-6-methylcyclohex-2-en-1-one
CID 14494141
[(2S,5R,8R,8aR)-2,5-dimethyl-8-propan-2-yl-3,5,6,7,8,8a-hexahydro-1H-naphthalen-2-yl]-methylazanide
CID 163121843
(1R,5R,10S)-5-methyl-10-phenylmethoxybicyclo[4.3.1]dec-6-en-2-one
CID 11821691

Frequently Asked Questions

What is the IUPAC name of (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The IUPAC name of (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol (CID 135068428) is (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol.
What is the SMILES notation for (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The canonical SMILES for (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol is CC1CC[C@@H](O)[C@H]2CCC=C12.
What is the InChIKey of (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
The InChIKey is NGAMVMJRRAVMMH-VYDKEIKOSA-N. The full InChI is InChI=1S/C10H16O/c1-7-5-6-10(11)9-4-2-3-8(7)9/h3,7,9-11H,2,4-6H2,1H3/t7?,9-,10+/m0/s1.
What are the key properties of (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol?
(3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol has a molecular weight of 152.24 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R)-7-methyl-3,3a,4,5,6,7-hexahydro-2H-inden-4-ol is sourced from PubChem (CID 135068428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).