[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol

C10H16O — CID 101115831

IUPAC[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1(C)[C@H]2CC(CO)=C[C@@H]1C2
InChIInChI=1S/C10H16O/c1-10(2)8-3-7(6-11)4-9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyYKYRCPFRUXTGHV-BDAKNGLRSA-N
MW152.24 g/mol
LogP1.97
Rot. Bonds1

About [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol

[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol (PubChem CID 101115831) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol.

Molecular Properties

Compound Name[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
PubChem CID101115831
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
SMILESCC1(C)[C@H]2CC(CO)=C[C@@H]1C2
InChIInChI=1S/C10H16O/c1-10(2)8-3-7(6-11)4-9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9+/m1/s1
InChIKeyYKYRCPFRUXTGHV-BDAKNGLRSA-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

[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl-trimethylsilane
CID 10987502
tert-butyl N-[[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-N-hydroxycarbamate
CID 102214052
2-[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]ethyl benzoate
CID 132838766
2-[(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)methoxy]oxane
CID 85397589
3-[2-(6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl)ethoxymethyl]-3-ethyloxetane
CID 167269391
deuterio-[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanone
CID 154720161
[4-(2-bromophenyl)phenyl]methyl-[[(1R,5S)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methyl]-dimethylazanium
CID 71519665
[(1R,2R,5S,7R)-2,6,6-trimethyl-9-tricyclo[5.3.1.01,5]undec-9-enyl]methanol
CID 118286509
[(1R,6R)-7,7-dimethyl-3-bicyclo[4.1.0]hept-2-enyl]methanol
CID 98049886
(1S,3aR,6aR)-5-(hydroxymethyl)-1-methyl-3,3a,4,6a-tetrahydro-2H-pentalen-1-ol
CID 10702257
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
(1R,5S,9S,11S)-7-(hydroxymethyl)-3,10,10,11-tetramethyltricyclo[7.4.1.01,5]tetradeca-2,7-dien-14-one
CID 146514562

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol?
The IUPAC name of [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol (CID 101115831) is [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol.
What is the SMILES notation for [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol?
The canonical SMILES for [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol is CC1(C)[C@H]2CC(CO)=C[C@@H]1C2.
What is the InChIKey of [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol?
The InChIKey is YKYRCPFRUXTGHV-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)8-3-7(6-11)4-9(10)5-8/h3,8-9,11H,4-6H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol?
[(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]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 [(1S,5R)-6,6-dimethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol is sourced from PubChem (CID 101115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).