[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol

C10H16O — CID 98049886

IUPAC[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
SMILESCC1(C)[C@@H]2C=C(CO)CC[C@H]21
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5,8-9,11H,3-4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyNATPOHWVZBGQEV-RKDXNWHRSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol

[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol (PubChem CID 98049886) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
PubChem CID98049886
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
SMILESCC1(C)[C@@H]2C=C(CO)CC[C@H]21
InChIInChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5,8-9,11H,3-4,6H2,1-2H3/t8-,9-/m1/s1
InChIKeyNATPOHWVZBGQEV-RKDXNWHRSA-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

6-(hydroxymethyl)-1-methyl-2,3,3a,4,5,7a-hexahydroinden-1-ol
CID 85287730
(1R,4R,6R,9E,11R)-9-(hydroperoxymethyl)-4,12,12-trimethyl-5-oxatricyclo[9.1.0.04,6]dodec-9-ene
CID 14606994
(3-ethylcyclopenten-1-yl)methanol
CID 22134204
(1S,4S,4aR,8aS)-6-(hydroxymethyl)-1-methyl-4-propan-2-yl-3,4,4a,7,8,8a-hexahydro-2H-naphthalen-1-ol
CID 25195166
[(3aS,7aR)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methanol
CID 10726152
acetyl acetate;3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
CID 174696157
(1S,2E,6E)-3,7,11,11-tetramethylbicyclo[8.1.0]undeca-2,6-diene
CID 164666823
[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] 2-phenylacetate
CID 155569189
(1S,3aR,6aR)-5-(hydroxymethyl)-1-methyl-3,3a,4,6a-tetrahydro-2H-pentalen-1-ol
CID 10702257
(1R,6S)-3-[(1Z)-4,4-dichlorobuta-1,3-dienyl]-7,7-dimethylbicyclo[4.1.0]hept-2-ene
CID 177403430
[(3S)-3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]methanol
CID 46193781
(1R,2Z,6E,10R)-3,11,11-trimethylbicyclo[8.1.0]undeca-2,6-diene
CID 162901796

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol?
The IUPAC name of [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol (CID 98049886) is [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol.
What is the SMILES notation for [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol?
The canonical SMILES for [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol is CC1(C)[C@@H]2C=C(CO)CC[C@H]21.
What is the InChIKey of [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol?
The InChIKey is NATPOHWVZBGQEV-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)8-4-3-7(6-11)5-9(8)10/h5,8-9,11H,3-4,6H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of [(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol?
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol 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,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol is sourced from PubChem (CID 98049886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).