(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol

C10H16O — CID 91746682

IUPAC(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
SMILESCC1=C[C@H](O)[C@@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8-9,11H,5H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyOJTQGSSVGDYALN-LPEHRKFASA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol

(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol (PubChem CID 91746682) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol.

Molecular Properties

Compound Name(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
PubChem CID91746682
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol
SMILESCC1=C[C@H](O)[C@@]2(C(C)C)C[C@@H]12
InChIInChI=1S/C10H16O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8-9,11H,5H2,1-3H3/t8-,9-,10+/m0/s1
InChIKeyOJTQGSSVGDYALN-LPEHRKFASA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.97
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

2,6,6-trimethylcyclohex-2-ene-1,4-diol
CID 85299248
4-hydroxy-3,6-dimethyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130146495
(1R,3R,6S,7R)-4,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
CID 15975315
3-butan-2-yl-5,5-dimethylcyclohexane-1,2-diol
CID 123875963
(1R,3S,6S,7S)-5,7-dimethyl-1-propan-2-yltricyclo[4.3.0.03,7]non-4-ene
CID 15885582
3,3-dimethylcyclobutane-1,2-diol
CID 12791421
(3R,4R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
CID 91753443
(1R)-2-methyl-5-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 6451618
(1S,2R,4R)-2-hydroxy-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
CID 101118192
(1S,4S,4aR,7S,8aR)-1,6-dimethyl-4-propan-2-yl-2,3,4,4a,7,8-hexahydronaphthalene-1,7,8a-triol
CID 162933875
(1S,3R,4E,8E,12S,13E)-4,8,12-trimethyl-1-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol
CID 66852026
(1R,5S,6S)-1,4-dimethylbicyclo[3.2.0]hept-3-en-6-ol
CID 10953589

Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol?
The IUPAC name of (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol (CID 91746682) is (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol.
What is the SMILES notation for (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol?
The canonical SMILES for (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol is CC1=C[C@H](O)[C@@]2(C(C)C)C[C@@H]12.
What is the InChIKey of (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol?
The InChIKey is OJTQGSSVGDYALN-LPEHRKFASA-N. The full InChI is InChI=1S/C10H16O/c1-6(2)10-5-8(10)7(3)4-9(10)11/h4,6,8-9,11H,5H2,1-3H3/t8-,9-,10+/m0/s1.
What are the key properties of (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol?
(1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol has a molecular weight of 152.24 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hex-3-en-2-ol is sourced from PubChem (CID 91746682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).