(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol

C8H14O3 — CID 11105627

IUPAC(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol
SMILESCOC(OC)[C@@H]1CC=C[C@@H]1O
InChIInChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(6)9/h3,5-9H,4H2,1-2H3/t6-,7+/m1/s1
InChIKeyJGKVMTDNDGMRRI-RQJHMYQMSA-N
MW158.20 g/mol
LogP0.54
Rot. Bonds3

About (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol

(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol (PubChem CID 11105627) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol
PubChem CID11105627
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol
SMILESCOC(OC)[C@@H]1CC=C[C@@H]1O
InChIInChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(6)9/h3,5-9H,4H2,1-2H3/t6-,7+/m1/s1
InChIKeyJGKVMTDNDGMRRI-RQJHMYQMSA-N
XLogP0.54
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.54
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'}

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Related Compounds

(E,3R)-1,1-dimethoxy-2,2-dimethylhex-4-en-3-ol
CID 101729374
(Z)-7,7-dimethoxy-2,5-dimethylhept-4-en-3-ol
CID 134922294
(E,3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
CID 11310196
(1R,3S)-2-(butoxymethyl)cyclopent-4-ene-1,3-diol
CID 68246491
6-(1,3-Dioxan-5-yl)hex-4-en-3-ol
CID 70612072
2-Methylcyclopent-4-ene-1,3-diol
CID 85423697
(3S)-8-(methoxymethoxy)-2-methyloct-4-en-3-ol
CID 91504657
1,3,6,8,8-Pentamethoxy-2,7-dimethyloct-4-en-1-ol
CID 124024234
(3S,4R,5E)-3-[2-(methoxymethoxy)ethyl]nona-1,5-dien-4-ol
CID 10955326
(Z,3R,4S)-3-(methoxymethoxymethyl)-2-methyldec-5-en-4-ol
CID 11075692
(1S,3R)-2-methylcyclopent-4-ene-1,3-diol
CID 11170942
(4E)-1,1-Dimethoxy-4-hexen-3-ol
CID 12754308

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol (CID 11105627) is (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol is COC(OC)[C@@H]1CC=C[C@@H]1O.
What is the InChIKey of (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol?
The InChIKey is JGKVMTDNDGMRRI-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14O3/c1-10-8(11-2)6-4-3-5-7(6)9/h3,5-9H,4H2,1-2H3/t6-,7+/m1/s1.
What are the key properties of (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol?
(1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol has a molecular weight of 158.20 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-5-(dimethoxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 11105627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).