(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol

C8H12O — CID 102076041

IUPAC(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
SMILESC=C1CC[C@@H](O)[C@@H]2C[C@H]12
InChIInChI=1S/C8H12O/c1-5-2-3-8(9)7-4-6(5)7/h6-9H,1-4H2/t6-,7-,8-/m1/s1
InChIKeyBRXVCNHOUZYHIT-BWZBUEFSSA-N
MW124.18 g/mol
LogP1.33
Rot. Bonds

About (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol

(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol (PubChem CID 102076041) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
PubChem CID102076041
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol
SMILESC=C1CC[C@@H](O)[C@@H]2C[C@H]12
InChIInChI=1S/C8H12O/c1-5-2-3-8(9)7-4-6(5)7/h6-9H,1-4H2/t6-,7-,8-/m1/s1
InChIKeyBRXVCNHOUZYHIT-BWZBUEFSSA-N
XLogP1.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.33
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

6-cyclopropyl-2-methylidenebicyclo[3.2.0]heptane
CID 163850995
cis-(1S,3R)-4-methylidenecyclohexane-1,3-diol
CID 101043296
(1R,8R)-7-hydroxybicyclo[6.1.0]nonan-2-one
CID 102217241
cis-(1R,2R)-2-ethyl-3-methylidenecyclopentan-1-ol
CID 131103793
2-cyclohexyl-3-methylidenecyclopentan-1-ol
CID 85389440
2-methylidene-5-propan-2-ylcyclohexan-1-ol
CID 12642437
(1S,6S,9R)-6,10,10-trimethyl-2-methylidenebicyclo[7.2.0]undecan-5-ol
CID 122525723
cis-(1R,2S)-3-methylidene-2-phenylcyclopentan-1-ol
CID 10942959
cis-(1S,5R)-5-tert-butyl-2-methylidenecyclohexan-1-ol
CID 12027036
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
3-methyl-4-methylidenecyclohexan-1-ol
CID 91313026
1-[(1R,3R)-3-hydroxy-4-methylidenecyclohexyl]ethanone
CID 15600203

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The IUPAC name of (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol (CID 102076041) is (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol is C=C1CC[C@@H](O)[C@@H]2C[C@H]12.
What is the InChIKey of (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol?
The InChIKey is BRXVCNHOUZYHIT-BWZBUEFSSA-N. The full InChI is InChI=1S/C8H12O/c1-5-2-3-8(9)7-4-6(5)7/h6-9H,1-4H2/t6-,7-,8-/m1/s1.
What are the key properties of (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol?
(1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol has a molecular weight of 124.18 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-5-methylidenebicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 102076041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).