4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

C10H16O2 — CID 14829019

IUPAC4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESCC1(C)C2CC1C(O)C=C2CO
InChIInChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h3,7-9,11-12H,4-5H2,1-2H3
InChIKeyUINQEKTYJJUDKB-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.94
Rot. Bonds1

About 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol

4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (PubChem CID 14829019) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
PubChem CID14829019
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol
SMILESCC1(C)C2CC1C(O)C=C2CO
InChIInChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h3,7-9,11-12H,4-5H2,1-2H3
InChIKeyUINQEKTYJJUDKB-UHFFFAOYSA-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

(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(1R,2R,5S)-4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]oxy]oxane-3,4,5-triol
CID 163036124
[(1S,4S,5S)-4-(2,6-dimethoxy-4-phenylphenyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
CID 162420201
bis(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-ol);bis(4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one)
CID 70607501
tetrakis((6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methanol);titanium
CID 177408471
2-[4-(hydroxymethyl)-6,6-dimethyl-2-bicyclo[3.1.1]hept-3-enyl]-5-(2-methyloctan-2-yl)benzene-1,3-diol
CID 11246164
[(1R,5S)-4-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl] 2,2-dimethylbutanoate
CID 175822800
(3aR,6S)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol
CID 58635906
[(1S,4S,5S)-4-[4-[hexyl(dimethyl)silyl]-2,6-dimethoxyphenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
CID 155679008
(6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 59963005
(3aS,6R)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-6-ol;yttrium
CID 58635907
[(4S)-2,4,6,6-tetramethyl-3-bicyclo[3.1.1]hept-2-enyl]methanol
CID 130668671
[(1S,4S,5S)-4-[2-methoxy-6-methyl-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
CID 174171863

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The IUPAC name of 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol (CID 14829019) is 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol.
What is the SMILES notation for 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The canonical SMILES for 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is CC1(C)C2CC1C(O)C=C2CO.
What is the InChIKey of 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
The InChIKey is UINQEKTYJJUDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2)7-4-8(10)9(12)3-6(7)5-11/h3,7-9,11-12H,4-5H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol?
4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-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 4-(hydroxymethyl)-6,6-dimethylbicyclo[3.1.1]hept-3-en-2-ol is sourced from PubChem (CID 14829019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).