undecan-5-ylcyclohexane

C17H34 — CID 524419

IUPACundecan-5-ylcyclohexane
SMILESCCCCCCC(CCCC)C1CCCCC1
InChIInChI=1S/C17H34/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16-17H,3-15H2,1-2H3
InChIKeyBYZLRRVDPKPOEP-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.34
Rot. Bonds9

About undecan-5-ylcyclohexane

undecan-5-ylcyclohexane (PubChem CID 524419) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is undecan-5-ylcyclohexane.

Molecular Properties

Compound Nameundecan-5-ylcyclohexane
PubChem CID524419
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Nameundecan-5-ylcyclohexane
SMILESCCCCCCC(CCCC)C1CCCCC1
InChIInChI=1S/C17H34/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16-17H,3-15H2,1-2H3
InChIKeyBYZLRRVDPKPOEP-UHFFFAOYSA-N
XLogP6.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 91510029
nonan-3-ylcyclopentane
CID 19893531
1-bromodecan-2-ylcyclopentane
CID 112570528
1-chlorododecan-2-ylcyclopentane
CID 112570395
2-cyclopentyloctan-1-amine
CID 112569591
CID 22214505
CID 22214505
2-cyclopentyl-N-methyldodecan-1-amine
CID 112569791
2-cyclopentyl-N-propan-2-yloctan-1-amine
CID 112569984
1-cyclohexylheptylcyclohexane
CID 16404
1-cycloheptyldecylcycloheptane
CID 20559033
CID 22214511
CID 22214511
2-cyclopropylheptylcyclohexane
CID 57268487

Frequently Asked Questions

What is the IUPAC name of undecan-5-ylcyclohexane?
The IUPAC name of undecan-5-ylcyclohexane (CID 524419) is undecan-5-ylcyclohexane.
What is the SMILES notation for undecan-5-ylcyclohexane?
The canonical SMILES for undecan-5-ylcyclohexane is CCCCCCC(CCCC)C1CCCCC1.
What is the InChIKey of undecan-5-ylcyclohexane?
The InChIKey is BYZLRRVDPKPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h16-17H,3-15H2,1-2H3.
What are the key properties of undecan-5-ylcyclohexane?
undecan-5-ylcyclohexane has a molecular weight of 238.46 g/mol, XLogP of 6.34, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecan-5-ylcyclohexane is sourced from PubChem (CID 524419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).