1-cyclohexyl-2,2-diethoxybut-3-en-1-ol

C14H26O3 — CID 10514323

IUPAC1-cyclohexyl-2,2-diethoxybut-3-en-1-ol
SMILESC=CC(OCC)(OCC)C(O)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-4-14(16-5-2,17-6-3)13(15)12-10-8-7-9-11-12/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyBZMZMHPEIYETAU-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.88
Rot. Bonds7

About 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol

1-cyclohexyl-2,2-diethoxybut-3-en-1-ol (PubChem CID 10514323) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,2-diethoxybut-3-en-1-ol
PubChem CID10514323
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name1-cyclohexyl-2,2-diethoxybut-3-en-1-ol
SMILESC=CC(OCC)(OCC)C(O)C1CCCCC1
InChIInChI=1S/C14H26O3/c1-4-14(16-5-2,17-6-3)13(15)12-10-8-7-9-11-12/h4,12-13,15H,1,5-11H2,2-3H3
InChIKeyBZMZMHPEIYETAU-UHFFFAOYSA-N
XLogP2.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.88
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

1-(1-Methoxy-2-propenyl)cyclohexanol
CID 24972463
(E,1S,2R)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 10331368
(2R)-2-[(4R,5R)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-en-2-ol
CID 44232882
(1S)-1-cyclohexyl-1-(methoxymethoxy)pent-4-en-2-ol
CID 134905956
(E,1S,2S)-1-cyclohexyl-2-(methoxymethoxy)pent-3-en-1-ol
CID 134992868
3,3-Diethoxydec-1-en-4-ol
CID 134993188
(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
2-Cyclohexyl-4-ethenyl-2-methyl-1,3-dioxolane
CID 89178933
[(2S,3S,6R)-6-ethenyl-3-methyloxan-2-yl]methanol
CID 118336971
2-Ethenyl-2-pentoxycyclohexan-1-ol
CID 141408188

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol?
The IUPAC name of 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol (CID 10514323) is 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol.
What is the SMILES notation for 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol?
The canonical SMILES for 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol is C=CC(OCC)(OCC)C(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol?
The InChIKey is BZMZMHPEIYETAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-4-14(16-5-2,17-6-3)13(15)12-10-8-7-9-11-12/h4,12-13,15H,1,5-11H2,2-3H3.
What are the key properties of 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol?
1-cyclohexyl-2,2-diethoxybut-3-en-1-ol has a molecular weight of 242.36 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2-diethoxybut-3-en-1-ol is sourced from PubChem (CID 10514323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).