1-dodecyl-4-pentadecylcyclohexane

C33H66 — CID 123560684

IUPAC1-dodecyl-4-pentadecylcyclohexane
SMILESCCCCCCCCCCCCCCCC1CCC(CCCCCCCCCCCC)CC1
InChIInChI=1S/C33H66/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-33-30-28-32(29-31-33)26-24-22-20-18-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3
InChIKeyNYMYTQKEXCICDL-UHFFFAOYSA-N
MW462.89 g/mol
LogP12.59
Rot. Bonds25

About 1-dodecyl-4-pentadecylcyclohexane

1-dodecyl-4-pentadecylcyclohexane (PubChem CID 123560684) has the molecular formula C33H66 and a molecular weight of 462.89 g/mol. Its IUPAC name is 1-dodecyl-4-pentadecylcyclohexane.

Molecular Properties

Compound Name1-dodecyl-4-pentadecylcyclohexane
PubChem CID123560684
Molecular FormulaC33H66
Molecular Weight462.89 g/mol
Exact Mass462.52
IUPAC Name1-dodecyl-4-pentadecylcyclohexane
SMILESCCCCCCCCCCCCCCCC1CCC(CCCCCCCCCCCC)CC1
InChIInChI=1S/C33H66/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-33-30-28-32(29-31-33)26-24-22-20-18-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3
InChIKeyNYMYTQKEXCICDL-UHFFFAOYSA-N
XLogP12.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds25
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.89
LogP ≤ 512.59
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

1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
azane;hexylcyclopropane
CID 135322230
hexane;pentylcyclopropane
CID 159592467
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-ethyl-4-[2-(4-heptylcyclohexyl)ethyl]cyclohexane
CID 14227509
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1-fluoro-4-heptylcyclohexane
CID 71196298
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-4-pentadecylcyclohexane?
The IUPAC name of 1-dodecyl-4-pentadecylcyclohexane (CID 123560684) is 1-dodecyl-4-pentadecylcyclohexane.
What is the SMILES notation for 1-dodecyl-4-pentadecylcyclohexane?
The canonical SMILES for 1-dodecyl-4-pentadecylcyclohexane is CCCCCCCCCCCCCCCC1CCC(CCCCCCCCCCCC)CC1.
What is the InChIKey of 1-dodecyl-4-pentadecylcyclohexane?
The InChIKey is NYMYTQKEXCICDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H66/c1-3-5-7-9-11-13-15-16-17-19-21-23-25-27-33-30-28-32(29-31-33)26-24-22-20-18-14-12-10-8-6-4-2/h32-33H,3-31H2,1-2H3.
What are the key properties of 1-dodecyl-4-pentadecylcyclohexane?
1-dodecyl-4-pentadecylcyclohexane has a molecular weight of 462.89 g/mol, XLogP of 12.59, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-4-pentadecylcyclohexane is sourced from PubChem (CID 123560684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).