(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol

C13H24O3 — CID 10331368

IUPAC(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
SMILESC/C=C/[C@@H](OCOC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-7-12(16-10-15-2)13(14)11-8-5-4-6-9-11/h3,7,11-14H,4-6,8-10H2,1-2H3/b7-3+/t12-,13+/m1/s1
InChIKeyQRFLDFSZAYTQMM-FVBNKSNASA-N
MW228.33 g/mol
LogP2.49
Rot. Bonds6

About (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol

(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol (PubChem CID 10331368) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol.

Molecular Properties

Compound Name(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
PubChem CID10331368
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
SMILESC/C=C/[C@@H](OCOC)[C@@H](O)C1CCCCC1
InChIInChI=1S/C13H24O3/c1-3-7-12(16-10-15-2)13(14)11-8-5-4-6-9-11/h3,7,11-14H,4-6,8-10H2,1-2H3/b7-3+/t12-,13+/m1/s1
InChIKeyQRFLDFSZAYTQMM-FVBNKSNASA-N
XLogP2.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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,4R,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 10466412
1-Cyclohexyl-2,2-diethoxybut-3-en-1-ol
CID 10514323
(1R)-1-[(2S,6R)-2-ethoxy-3,6-dihydro-2H-pyran-6-yl]undecan-1-ol
CID 11381001
2-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-3-en-1-ol
CID 134901618
(1S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 134905956
4-(3,3-Diethoxyprop-1-en-2-yl)cyclohex-2-en-1-ol
CID 134981319
(E,1S,2S)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 134992868
(E,4S,5S)-4-(methoxymethoxy)undec-2-en-5-ol
CID 134993005
(1R,2R)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 134999115
(4R,5S)-4-(methoxymethoxy)-5-methylnon-1-en-3-ol
CID 135016264
(1R,2S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 135056929
(3aR,4S,5R,7aS)-5-ethyl-2,2-dimethyl-3a,4,5,7a-tetrahydro-1,3-benzodioxol-4-ol
CID 11446938

Frequently Asked Questions

What is the IUPAC name of (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol?
The IUPAC name of (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol (CID 10331368) is (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol.
What is the SMILES notation for (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol?
The canonical SMILES for (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol is C/C=C/[C@@H](OCOC)[C@@H](O)C1CCCCC1.
What is the InChIKey of (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol?
The InChIKey is QRFLDFSZAYTQMM-FVBNKSNASA-N. The full InChI is InChI=1S/C13H24O3/c1-3-7-12(16-10-15-2)13(14)11-8-5-4-6-9-11/h3,7,11-14H,4-6,8-10H2,1-2H3/b7-3+/t12-,13+/m1/s1.
What are the key properties of (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol?
(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol is sourced from PubChem (CID 10331368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).