(5-butoxy-1-cyclooctylpentyl)cyclooctane

C25H48O — CID 57036242

IUPAC(5-butoxy-1-cyclooctylpentyl)cyclooctane
SMILESCCCCOCCCCC(C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C25H48O/c1-2-3-21-26-22-15-14-20-25(23-16-10-6-4-7-11-17-23)24-18-12-8-5-9-13-19-24/h23-25H,2-22H2,1H3
InChIKeyMQBCPPUOXMBMET-UHFFFAOYSA-N
MW364.66 g/mol
LogP8.31
Rot. Bonds10

About (5-butoxy-1-cyclooctylpentyl)cyclooctane

(5-butoxy-1-cyclooctylpentyl)cyclooctane (PubChem CID 57036242) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (5-butoxy-1-cyclooctylpentyl)cyclooctane.

Molecular Properties

Compound Name(5-butoxy-1-cyclooctylpentyl)cyclooctane
PubChem CID57036242
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(5-butoxy-1-cyclooctylpentyl)cyclooctane
SMILESCCCCOCCCCC(C1CCCCCCC1)C1CCCCCCC1
InChIInChI=1S/C25H48O/c1-2-3-21-26-22-15-14-20-25(23-16-10-6-4-7-11-17-23)24-18-12-8-5-9-13-19-24/h23-25H,2-22H2,1H3
InChIKeyMQBCPPUOXMBMET-UHFFFAOYSA-N
XLogP8.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
1-cyclopropylpentylcycloheptane
CID 91177068
1-cyclohexyldecylcyclohexane;isocyanic acid
CID 172810256
1-cyclopropyloctylcyclopropane
CID 141276542
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
(1R)-N-(2-butoxyethyl)-1-cyclohexylethanamine
CID 81385232
2-cyclohexyl-4-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]butanoic acid
CID 160562637
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642
hexadecan-8-ylcyclohexane
CID 91510029
1,5-dibutoxy-1-[5-[5-(1,5-dibutoxypentoxy)pentoxy]pentoxy]pentane
CID 175168734
butoxy(cyclohexyl)methanol
CID 89347064

Frequently Asked Questions

What is the IUPAC name of (5-butoxy-1-cyclooctylpentyl)cyclooctane?
The IUPAC name of (5-butoxy-1-cyclooctylpentyl)cyclooctane (CID 57036242) is (5-butoxy-1-cyclooctylpentyl)cyclooctane.
What is the SMILES notation for (5-butoxy-1-cyclooctylpentyl)cyclooctane?
The canonical SMILES for (5-butoxy-1-cyclooctylpentyl)cyclooctane is CCCCOCCCCC(C1CCCCCCC1)C1CCCCCCC1.
What is the InChIKey of (5-butoxy-1-cyclooctylpentyl)cyclooctane?
The InChIKey is MQBCPPUOXMBMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O/c1-2-3-21-26-22-15-14-20-25(23-16-10-6-4-7-11-17-23)24-18-12-8-5-9-13-19-24/h23-25H,2-22H2,1H3.
What are the key properties of (5-butoxy-1-cyclooctylpentyl)cyclooctane?
(5-butoxy-1-cyclooctylpentyl)cyclooctane has a molecular weight of 364.66 g/mol, XLogP of 8.31, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-butoxy-1-cyclooctylpentyl)cyclooctane is sourced from PubChem (CID 57036242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).