1-(4-butylcyclohexyl)-3-ethylheptan-1-ol

C19H38O — CID 114981328

IUPAC1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
SMILESCCCCC1CCC(C(O)CC(CC)CCCC)CC1
InChIInChI=1S/C19H38O/c1-4-7-9-16(6-3)15-19(20)18-13-11-17(12-14-18)10-8-5-2/h16-20H,4-15H2,1-3H3
InChIKeyHWHXLVCBWOXXPC-UHFFFAOYSA-N
MW282.51 g/mol
LogP5.95
Rot. Bonds10

About 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol

1-(4-butylcyclohexyl)-3-ethylheptan-1-ol (PubChem CID 114981328) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol.

Molecular Properties

Compound Name1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
PubChem CID114981328
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name1-(4-butylcyclohexyl)-3-ethylheptan-1-ol
SMILESCCCCC1CCC(C(O)CC(CC)CCCC)CC1
InChIInChI=1S/C19H38O/c1-4-7-9-16(6-3)15-19(20)18-13-11-17(12-14-18)10-8-5-2/h16-20H,4-15H2,1-3H3
InChIKeyHWHXLVCBWOXXPC-UHFFFAOYSA-N
XLogP5.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol?
The IUPAC name of 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol (CID 114981328) is 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol.
What is the SMILES notation for 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol?
The canonical SMILES for 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol is CCCCC1CCC(C(O)CC(CC)CCCC)CC1.
What is the InChIKey of 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol?
The InChIKey is HWHXLVCBWOXXPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O/c1-4-7-9-16(6-3)15-19(20)18-13-11-17(12-14-18)10-8-5-2/h16-20H,4-15H2,1-3H3.
What are the key properties of 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol?
1-(4-butylcyclohexyl)-3-ethylheptan-1-ol has a molecular weight of 282.51 g/mol, XLogP of 5.95, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylcyclohexyl)-3-ethylheptan-1-ol is sourced from PubChem (CID 114981328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).