1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol

C16H32O3 — CID 116755485

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol
SMILESCCOC1(C(O)C(C)CCOC)CCC(C)(C)CC1
InChIInChI=1S/C16H32O3/c1-6-19-16(10-8-15(3,4)9-11-16)14(17)13(2)7-12-18-5/h13-14,17H,6-12H2,1-5H3
InChIKeyCMLFUDQKOOMNQO-UHFFFAOYSA-N
MW272.43 g/mol
LogP3.40
Rot. Bonds7

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol (PubChem CID 116755485) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol
PubChem CID116755485
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol
SMILESCCOC1(C(O)C(C)CCOC)CCC(C)(C)CC1
InChIInChI=1S/C16H32O3/c1-6-19-16(10-8-15(3,4)9-11-16)14(17)13(2)7-12-18-5/h13-14,17H,6-12H2,1-5H3
InChIKeyCMLFUDQKOOMNQO-UHFFFAOYSA-N
XLogP3.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
4-methoxy-1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylbutan-1-amine
CID 116769240
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-N-methylbutan-1-amine
CID 114857241
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
1-(1-ethoxycyclohexyl)-4-methoxy-2-methyl-N-propylbutan-1-amine
CID 116764282
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-methyl-N-propylpentan-1-amine
CID 107896937
1-(1-hydroxy-3-methoxy-2-methylpropyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 116503423
1-(1-methoxy-4,4-dimethylcyclohexyl)-2-methylpropan-1-ol
CID 116755601
3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
CID 116768623
1-(1-methoxy-4,4-dimethylcyclohexyl)-3-methylhexan-1-ol
CID 116755710
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol (CID 116755485) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol is CCOC1(C(O)C(C)CCOC)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol?
The InChIKey is CMLFUDQKOOMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-6-19-16(10-8-15(3,4)9-11-16)14(17)13(2)7-12-18-5/h13-14,17H,6-12H2,1-5H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol is sourced from PubChem (CID 116755485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).