1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol

C13H24O3 — CID 11020651

IUPAC1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol
SMILESCOC(C/C(C)=C\C1(O)CCCCC1)OC
InChIInChI=1S/C13H24O3/c1-11(9-12(15-2)16-3)10-13(14)7-5-4-6-8-13/h10,12,14H,4-9H2,1-3H3/b11-10-
InChIKeyMBLWKHGVRIUXRT-KHPPLWFESA-N
MW228.33 g/mol
LogP2.64
Rot. Bonds5

About 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol

1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol (PubChem CID 11020651) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol
PubChem CID11020651
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol
SMILESCOC(C/C(C)=C\C1(O)CCCCC1)OC
InChIInChI=1S/C13H24O3/c1-11(9-12(15-2)16-3)10-13(14)7-5-4-6-8-13/h10,12,14H,4-9H2,1-3H3/b11-10-
InChIKeyMBLWKHGVRIUXRT-KHPPLWFESA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.64
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

Hydroxy citronellal dimethyl acetal
CID 129727887
1-[(E)-1-iodo-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol
CID 11057339
1-[(E)-4-hydroxy-3-methylbut-2-enyl]cyclohexan-1-ol
CID 134862334
1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]-4-methylcyclohexan-1-ol
CID 134922163
1-[3-(1-Ethoxyethoxy)propyl]cyclohex-2-en-1-ol
CID 20402890
4-(2-Hydroxyethylidene)-1-methylcyclohexan-1-ol
CID 68344071
5-[5-(Dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 139762502
5-[4-(Dimethoxymethyl)cyclohexen-1-yl]-2-methylpentan-2-ol
CID 139762503
1-[(E)-3,3-diethoxyprop-1-enyl]cyclohexan-1-ol
CID 171483666
(2Z)-2-(5,5-dimethoxypentylidene)cyclohexan-1-ol
CID 11601054
(1S,2Z)-2-(6,6-dimethoxyhexylidene)-4,4-dimethylcyclohexan-1-ol
CID 11701752
3-(2-Hydroxyethylidene)-1-methylcyclohexan-1-ol
CID 71347270

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol?
The IUPAC name of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol (CID 11020651) is 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol is COC(C/C(C)=C\C1(O)CCCCC1)OC.
What is the InChIKey of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol?
The InChIKey is MBLWKHGVRIUXRT-KHPPLWFESA-N. The full InChI is InChI=1S/C13H24O3/c1-11(9-12(15-2)16-3)10-13(14)7-5-4-6-8-13/h10,12,14H,4-9H2,1-3H3/b11-10-.
What are the key properties of 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol?
1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol has a molecular weight of 228.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4,4-dimethoxy-2-methylbut-1-enyl]cyclohexan-1-ol is sourced from PubChem (CID 11020651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).