(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol

C13H24O3 — CID 135056929

IUPAC(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
SMILESC=CC[C@H](O)[C@H](OCOC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-7-12(14)13(16-10-15-2)11-8-5-4-6-9-11/h3,11-14H,1,4-10H2,2H3/t12-,13+/m0/s1
InChIKeyYYOPQPYTZMWFGS-QWHCGFSZSA-N
MW228.33 g/mol
LogP2.49
Rot. Bonds7

About (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol

(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol (PubChem CID 135056929) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
PubChem CID135056929
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
SMILESC=CC[C@H](O)[C@H](OCOC)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-7-12(14)13(16-10-15-2)11-8-5-4-6-9-11/h3,11-14H,1,4-10H2,2H3/t12-,13+/m0/s1
InChIKeyYYOPQPYTZMWFGS-QWHCGFSZSA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.49
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,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 10331368
(1R,2R)-2-methyl-1-((R)-1,4-dioxaspiro[4.5]decan-2-yl)but-3-en-1-ol
CID 10513443
1-Cyclohexyl-2,2-diethoxybut-3-en-1-ol
CID 10514323
(1R,2R)-1-cyclohexylpent-4-ene-1,2-diol
CID 10631358
(4S,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 11322182
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
(1R,2S)-1-cyclohexylpent-4-ene-1,2-diol
CID 15253536
(4R,5S)-5-(methoxymethoxy)undec-1-en-4-ol
CID 16059325
(2s,3s)-1-Methoxymethyloxy-3-vinyl-5-hexen-2-ol
CID 21593475
(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-ol
CID 46855551
(1S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 134905956
(1S)-1-cyclohexylpent-4-ene-1,2-diol
CID 134978643

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol?
The IUPAC name of (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol (CID 135056929) is (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol.
What is the SMILES notation for (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol?
The canonical SMILES for (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol is C=CC[C@H](O)[C@H](OCOC)C1CCCCC1.
What is the InChIKey of (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol?
The InChIKey is YYOPQPYTZMWFGS-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-7-12(14)13(16-10-15-2)11-8-5-4-6-9-11/h3,11-14H,1,4-10H2,2H3/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol?
(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol has a molecular weight of 228.33 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol is sourced from PubChem (CID 135056929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).