1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol

C18H34O2 — CID 70888853

IUPAC1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2(O)CCC(CCC)CC2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-15-7-11-17(19,12-8-15)18(20)13-9-16(6-4-2)10-14-18/h15-16,19-20H,3-14H2,1-2H3
InChIKeySXKMERPUCUURLI-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.43
Rot. Bonds5

About 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol

1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol (PubChem CID 70888853) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
PubChem CID70888853
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)(C2(O)CCC(CCC)CC2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-15-7-11-17(19,12-8-15)18(20)13-9-16(6-4-2)10-14-18/h15-16,19-20H,3-14H2,1-2H3
InChIKeySXKMERPUCUURLI-UHFFFAOYSA-N
XLogP4.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclooctyl]-4-propylcyclohexan-1-ol
CID 80603364
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
1-(2-methylprop-1-enyl)-4-propylcyclohexan-1-ol
CID 79190880
1-(2-aminoethyl)-4-propylcyclohexan-1-ol
CID 79128310
7-propylspiro[3.5]nonane
CID 144910869
1-(3,5-dimethylcyclohexyl)-4-propylcyclohexan-1-ol
CID 64730670
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
1-(1-hydroxy-4-propylcycloheptyl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79123861
1-[1-(aminomethyl)-3-methylcyclohexyl]-4-propylcyclohexan-1-ol
CID 79126743
3-propylspiro[5.6]dodecane
CID 163613469

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol?
The IUPAC name of 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol (CID 70888853) is 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol.
What is the SMILES notation for 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol?
The canonical SMILES for 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol is CCCC1CCC(O)(C2(O)CCC(CCC)CC2)CC1.
What is the InChIKey of 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol?
The InChIKey is SXKMERPUCUURLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-15-7-11-17(19,12-8-15)18(20)13-9-16(6-4-2)10-14-18/h15-16,19-20H,3-14H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol?
1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol has a molecular weight of 282.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-propylcyclohexyl)-4-propylcyclohexan-1-ol is sourced from PubChem (CID 70888853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).