1-(2-ethylhexyl)-4-propylcycloheptan-1-ol

C18H36O — CID 65090653

IUPAC1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
SMILESCCCCC(CC)CC1(O)CCCC(CCC)CC1
InChIInChI=1S/C18H36O/c1-4-7-10-16(6-3)15-18(19)13-8-11-17(9-5-2)12-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyLKOMRGQWFDSREM-UHFFFAOYSA-N
MW268.48 g/mol
LogP5.70
Rot. Bonds8

About 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol

1-(2-ethylhexyl)-4-propylcycloheptan-1-ol (PubChem CID 65090653) has the molecular formula C18H36O and a molecular weight of 268.48 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
PubChem CID65090653
Molecular FormulaC18H36O
Molecular Weight268.48 g/mol
Exact Mass268.28
IUPAC Name1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
SMILESCCCCC(CC)CC1(O)CCCC(CCC)CC1
InChIInChI=1S/C18H36O/c1-4-7-10-16(6-3)15-18(19)13-8-11-17(9-5-2)12-14-18/h16-17,19H,4-15H2,1-3H3
InChIKeyLKOMRGQWFDSREM-UHFFFAOYSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
4-butyl-1-(chloromethyl)-1-(2-ethylhexyl)cyclohexane
CID 66034185
4-(2-ethylhexyl)-1-methylazepan-4-ol
CID 65075552
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
4-propyl-1-prop-2-ynylcycloheptan-1-ol
CID 65090248
4-ethyl-1-(2-methylpentyl)cycloheptan-1-ol
CID 65151311
3-(2-ethylhexyl)pyrrolidin-3-ol
CID 63587547
[4-ethyl-1-(2-ethylhexyl)cyclohexyl]methanamine
CID 65393906
3-ethyl-1-(4-propylcyclohexyl)heptan-1-amine
CID 65423369
1-[(3,4-dichlorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151513

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol?
The IUPAC name of 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol (CID 65090653) is 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol.
What is the SMILES notation for 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol?
The canonical SMILES for 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol is CCCCC(CC)CC1(O)CCCC(CCC)CC1.
What is the InChIKey of 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol?
The InChIKey is LKOMRGQWFDSREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O/c1-4-7-10-16(6-3)15-18(19)13-8-11-17(9-5-2)12-14-18/h16-17,19H,4-15H2,1-3H3.
What are the key properties of 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol?
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol has a molecular weight of 268.48 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-4-propylcycloheptan-1-ol is sourced from PubChem (CID 65090653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).