[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol

C10H18O3 — CID 10943185

IUPAC[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1CO
InChIInChI=1S/C10H18O3/c1-3-8-4-10(13-7-12-2)5-9(8)6-11/h3,8-11H,1,4-7H2,2H3/t8-,9+,10+/m1/s1
InChIKeyUBCBLESWDGJXOY-UTLUCORTSA-N
MW186.25 g/mol
LogP1.18
Rot. Bonds5

About [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol

[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol (PubChem CID 10943185) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol
PubChem CID10943185
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol
SMILESC=C[C@@H]1C[C@H](OCOC)C[C@H]1CO
InChIInChI=1S/C10H18O3/c1-3-8-4-10(13-7-12-2)5-9(8)6-11/h3,8-11H,1,4-7H2,2H3/t8-,9+,10+/m1/s1
InChIKeyUBCBLESWDGJXOY-UTLUCORTSA-N
XLogP1.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2S)-2-ethenylcyclopropyl]methanol
CID 10011846
[(2R,4S)-4-amino-2-ethenylcyclopentyl]methanol
CID 155129113
3-(methoxymethoxy)cyclopentan-1-ol
CID 91618356
3-(methoxymethoxy)cyclopentane-1-carboxylic acid
CID 19804660
(2-ethoxycyclopropyl)methanol
CID 13465027
cis-(1R,3S)-3-(methoxymethoxy)cyclopentan-1-amine
CID 163636034
cis-(2R,4R)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635148
(2S,4R,6R)-6-(hydroxymethyl)-4-(methoxymethoxy)piperidin-1-ium-2-carboxylic acid chloride
CID 10658704
cis-(2S,4S)-4-(methoxymethoxy)-2-prop-2-enylcyclohexan-1-one
CID 124635151
[(1S,2S)-2-ethenylcyclohexyl]methanol
CID 22854364
1-ethenyl-5-(methoxymethoxy)cyclohexene
CID 101021221
tert-butyl (3S,5R)-3-(methoxymethoxy)-5-(prop-2-enoxymethyl)piperidine-1-carboxylate
CID 177330558

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol?
The IUPAC name of [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol (CID 10943185) is [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol.
What is the SMILES notation for [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol?
The canonical SMILES for [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol is C=C[C@@H]1C[C@H](OCOC)C[C@H]1CO.
What is the InChIKey of [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol?
The InChIKey is UBCBLESWDGJXOY-UTLUCORTSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-8-4-10(13-7-12-2)5-9(8)6-11/h3,8-11H,1,4-7H2,2H3/t8-,9+,10+/m1/s1.
What are the key properties of [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol?
[(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol has a molecular weight of 186.25 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2-ethenyl-4-(methoxymethoxy)cyclopentyl]methanol is sourced from PubChem (CID 10943185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).