1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene

C32H53Cl — CID 139911130

IUPAC1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C32H53Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27-19-21-28(22-20-27)29-23-25-30(26-24-29)31-17-14-15-18-32(31)33/h14-15,17-18,27-30H,2-13,16,19-26H2,1H3
InChIKeyHRSDFIPDAIYOAP-UHFFFAOYSA-N
MW473.23 g/mol
LogP11.51
Rot. Bonds15

About 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene

1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene (PubChem CID 139911130) has the molecular formula C32H53Cl and a molecular weight of 473.23 g/mol. Its IUPAC name is 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
PubChem CID139911130
Molecular FormulaC32H53Cl
Molecular Weight473.23 g/mol
Exact Mass472.38
IUPAC Name1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene
SMILESCCCCCCCCCCCCCCC1CCC(C2CCC(c3ccccc3Cl)CC2)CC1
InChIInChI=1S/C32H53Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27-19-21-28(22-20-27)29-23-25-30(26-24-29)31-17-14-15-18-32(31)33/h14-15,17-18,27-30H,2-13,16,19-26H2,1H3
InChIKeyHRSDFIPDAIYOAP-UHFFFAOYSA-N
XLogP11.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.23
LogP ≤ 511.51
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-pentylcyclohexyl)-2-(4-propylcyclohexyl)benzene
CID 173398550
2-chloro-4-(trifluoromethyl)-1-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139779221
2-chloro-1-[4-(4-hexylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779235
1-bromo-2-(4-pentylcyclohexyl)benzene
CID 68659349
1-chloro-2-[4-(4-dodecylcyclohexyl)phenyl]benzene
CID 139911109
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
N-[4-[4-(4-pentylcyclohexyl)cyclohexyl]cyclohexyl]aniline
CID 158118284
4-[4-(4-heptylcyclohexyl)cyclohexyl]phenol
CID 139983091

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene (CID 139911130) is 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene is CCCCCCCCCCCCCCC1CCC(C2CCC(c3ccccc3Cl)CC2)CC1.
What is the InChIKey of 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene?
The InChIKey is HRSDFIPDAIYOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H53Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-27-19-21-28(22-20-27)29-23-25-30(26-24-29)31-17-14-15-18-32(31)33/h14-15,17-18,27-30H,2-13,16,19-26H2,1H3.
What are the key properties of 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene?
1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene has a molecular weight of 473.23 g/mol, XLogP of 11.51, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(4-tetradecylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 139911130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).