[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol

C10H16O2 — CID 101195725

IUPAC[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol
SMILESC=CC1CC(CO)(CO)CC1=C
InChIInChI=1S/C10H16O2/c1-3-9-5-10(6-11,7-12)4-8(9)2/h3,9,11-12H,1-2,4-7H2
InChIKeyCZBJWNQWHHMRTR-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.11
Rot. Bonds3

About [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol

[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol (PubChem CID 101195725) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol.

Molecular Properties

Compound Name[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol
PubChem CID101195725
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol
SMILESC=CC1CC(CO)(CO)CC1=C
InChIInChI=1S/C10H16O2/c1-3-9-5-10(6-11,7-12)4-8(9)2/h3,9,11-12H,1-2,4-7H2
InChIKeyCZBJWNQWHHMRTR-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.11
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

[1-(Prop-2-en-1-yl)cyclopentyl]methanol
CID 59913137
(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
[(3R)-1-(hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 176427685
2-(2-Methylprop-2-enyl)-2-prop-2-enylpropane-1,3-diol
CID 14763745
2-(Hydroxymethyl)-2-(4-prop-2-enylocta-1,7-dien-4-yl)propane-1,3-diol
CID 22364526
2-(Hydroxymethyl)-2,3-bis(prop-2-enyl)pentane-1,5-diol
CID 90239314
2-(Hydroxymethyl)-2-prop-2-enylpentane-1,5-diol
CID 138704998
2-[2,2-Bis(prop-2-enyl)pent-4-enyl]-2-(hydroxymethyl)propane-1,3-diol
CID 140329105
[(3S)-3-ethenylcyclopentyl]methanol
CID 143479645
2-(Hydroxymethyl)-2-pent-4-enylpropane-1,3-diol
CID 154190868
2-(Hydroxymethyl)-3-(4-prop-2-enylhepta-1,6-dien-4-yl)butane-1,4-diol
CID 175303105

Frequently Asked Questions

What is the IUPAC name of [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol?
The IUPAC name of [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol (CID 101195725) is [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol.
What is the SMILES notation for [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol?
The canonical SMILES for [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol is C=CC1CC(CO)(CO)CC1=C.
What is the InChIKey of [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol?
The InChIKey is CZBJWNQWHHMRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-9-5-10(6-11,7-12)4-8(9)2/h3,9,11-12H,1-2,4-7H2.
What are the key properties of [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol?
[3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol has a molecular weight of 168.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethenyl-1-(hydroxymethyl)-4-methylidenecyclopentyl]methanol is sourced from PubChem (CID 101195725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).