trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol

C14H26O4 — CID 5470152

IUPACtrans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol
SMILESCOC/C=C\[C@@]1(O)CCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C14H26O4/c1-16-10-6-9-14(15)8-5-4-7-12(14)11-13(17-2)18-3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3/b9-6-/t12-,14+/m1/s1
InChIKeyYKDKHHAHSCIGIF-LQGBBJIQSA-N
MW258.36 g/mol
LogP2.12
Rot. Bonds7

About trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol

trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol (PubChem CID 5470152) has the molecular formula C14H26O4 and a molecular weight of 258.36 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol
PubChem CID5470152
Molecular FormulaC14H26O4
Molecular Weight258.36 g/mol
Exact Mass258.18
IUPAC Nametrans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol
SMILESCOC/C=C\[C@@]1(O)CCCC[C@@H]1CC(OC)OC
InChIInChI=1S/C14H26O4/c1-16-10-6-9-14(15)8-5-4-7-12(14)11-13(17-2)18-3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3/b9-6-/t12-,14+/m1/s1
InChIKeyYKDKHHAHSCIGIF-LQGBBJIQSA-N
XLogP2.12
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol with MolForge

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Related Compounds

[(E)-3-[(1R,2R)-1-hydroxy-2-phenylcyclohexyl]prop-2-enyl] methyl carbonate
CID 101343776
trans-(1S,2R)-2-(methoxymethyl)-1-methylcyclohexan-1-ol
CID 178196610
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
trans-(1R,2R)-1-methyl-2-(2-oxopropyl)cyclohexane-1-carbaldehyde
CID 131122718
trans-(1S,2R)-1-ethenyl-2-prop-2-enylcyclohexan-1-ol
CID 10702229
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-propylcyclohexane-1,1-diol
CID 19352764
N-(2,2-dimethoxyethyl)-N,2-dimethylcyclohexan-1-amine
CID 66221470
(1R)-2-(aminomethyl)-1-methylcyclohexan-1-ol;hydrochloride
CID 155887959
3,3-dimethoxypropylcyclopentane
CID 58449962
trans-(1S,2R)-1-methyl-2-(2-methylbutyl)cyclohexan-1-ol
CID 178196658

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol (CID 5470152) is trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol is COC/C=C\[C@@]1(O)CCCC[C@@H]1CC(OC)OC.
What is the InChIKey of trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol?
The InChIKey is YKDKHHAHSCIGIF-LQGBBJIQSA-N. The full InChI is InChI=1S/C14H26O4/c1-16-10-6-9-14(15)8-5-4-7-12(14)11-13(17-2)18-3/h6,9,12-13,15H,4-5,7-8,10-11H2,1-3H3/b9-6-/t12-,14+/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol?
trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(2,2-dimethoxyethyl)-1-[(Z)-3-methoxyprop-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 5470152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).