(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol

C10H16O2 — CID 139591324

IUPAC(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol
SMILESCC1=C[C@@H]2[C@H]([C@H](O)C1)[C@@]2(C)CO
InChIInChI=1S/C10H16O2/c1-6-3-7-9(8(12)4-6)10(7,2)5-11/h3,7-9,11-12H,4-5H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAKYVUVFJKLYXJB-KYXWUPHJSA-N
MW168.24 g/mol
LogP0.94
Rot. Bonds1

About (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol

(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol (PubChem CID 139591324) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol.

Molecular Properties

Compound Name(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol
PubChem CID139591324
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol
SMILESCC1=C[C@@H]2[C@H]([C@H](O)C1)[C@@]2(C)CO
InChIInChI=1S/C10H16O2/c1-6-3-7-9(8(12)4-6)10(7,2)5-11/h3,7-9,11-12H,4-5H2,1-2H3/t7-,8-,9-,10+/m1/s1
InChIKeyAKYVUVFJKLYXJB-KYXWUPHJSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Camelliol C
CID 6476390
Bicyclo[4.1.0]hept-4-ene-3-methanol, 4,7,7-trimethyl-
CID 85800
2-Cyclohexene-1-propanol, alpha,2,6,6-tetramethyl-
CID 166894
Partheniol
CID 76315918
(1R,2S,5E,9S,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-ene-2,9-diol
CID 10331790
trans-3-Caren-2-ol
CID 576906
4,6,6-trimethyl-5-[(3Z,7E,11Z)-3,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenyl]cyclohex-3-en-1-ol
CID 131751388
Cambridge id 5181623
CID 660718
Illudadiene B
CID 127038501
alpha,beta,2,6,6-Pentamethylcyclohex-2-ene-1-propan-1-ol
CID 25076551
4,8,11,11-Tetramethylbicyclo[8.1.0]undeca-4,8-dien-2-ol
CID 4283002
3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol
CID 14335169

Frequently Asked Questions

What is the IUPAC name of (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol?
The IUPAC name of (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol (CID 139591324) is (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol.
What is the SMILES notation for (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol?
The canonical SMILES for (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol is CC1=C[C@@H]2[C@H]([C@H](O)C1)[C@@]2(C)CO.
What is the InChIKey of (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol?
The InChIKey is AKYVUVFJKLYXJB-KYXWUPHJSA-N. The full InChI is InChI=1S/C10H16O2/c1-6-3-7-9(8(12)4-6)10(7,2)5-11/h3,7-9,11-12H,4-5H2,1-2H3/t7-,8-,9-,10+/m1/s1.
What are the key properties of (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol?
(1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol has a molecular weight of 168.24 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,6R,7S)-7-(hydroxymethyl)-4,7-dimethylbicyclo[4.1.0]hept-4-en-2-ol is sourced from PubChem (CID 139591324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).