[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol

C10H18O2 — CID 134964831

IUPAC[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol
SMILESC/C=C1\[C@H](CO)CC[C@]1(C)CO
InChIInChI=1S/C10H18O2/c1-3-9-8(6-11)4-5-10(9,2)7-12/h3,8,11-12H,4-7H2,1-2H3/b9-3+/t8-,10+/m0/s1
InChIKeyPBQIMDQZXSJMRW-QYWHHAKLSA-N
MW170.25 g/mol
LogP1.33
Rot. Bonds2

About [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol

[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol (PubChem CID 134964831) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol
PubChem CID134964831
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol
SMILESC/C=C1\[C@H](CO)CC[C@]1(C)CO
InChIInChI=1S/C10H18O2/c1-3-9-8(6-11)4-5-10(9,2)7-12/h3,8,11-12H,4-7H2,1-2H3/b9-3+/t8-,10+/m0/s1
InChIKeyPBQIMDQZXSJMRW-QYWHHAKLSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.33
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

alpha-CAMPHOLENOL
CID 61284
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Cambridge id 5181623
CID 660718
2-((1R)-2,2,4-Trimethylcyclopent-3-en-1-yl)ethan-1-ol
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(3-tert-Butyl-5-hydroxymethyl-cyclohex-2-enyl)-methanol
CID 2832197
3-Cyclopentene-1-ethanol, 2,2,4-trimethyl-
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(+)-Campholenol
CID 23623698
trans-alpha-Necrodol
CID 10909794
(1,3-Dimethyl-2-methylene-cyclopentyl)-methanol
CID 572858
Bicyclo(2.2.1)hept-2-ene-1-methanol
CID 20273145
[1-(Hydroxymethyl)-3-methyl-4-methylidenecyclopentyl]methanol
CID 24881495
(2,4,4-Trimethyl-2-cyclohexenyl)methanol
CID 117953337

Frequently Asked Questions

What is the IUPAC name of [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol?
The IUPAC name of [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol (CID 134964831) is [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol.
What is the SMILES notation for [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol?
The canonical SMILES for [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol is C/C=C1\[C@H](CO)CC[C@]1(C)CO.
What is the InChIKey of [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol?
The InChIKey is PBQIMDQZXSJMRW-QYWHHAKLSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9-8(6-11)4-5-10(9,2)7-12/h3,8,11-12H,4-7H2,1-2H3/b9-3+/t8-,10+/m0/s1.
What are the key properties of [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol?
[(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol has a molecular weight of 170.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2E,3S)-2-ethylidene-3-(hydroxymethyl)-3-methylcyclopentyl]methanol is sourced from PubChem (CID 134964831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).