1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane

C21H40 — CID 101318409

IUPAC1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C(C)C)C(C(C)C)C(C2CCCCC2)C1
InChIInChI=1S/C21H40/c1-14(2)18-12-19(15(3)4)21(16(5)6)20(13-18)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3
InChIKeyNAERJSHXIQCDPV-UHFFFAOYSA-N
MW292.55 g/mol
LogP6.79
Rot. Bonds4

About 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane

1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane (PubChem CID 101318409) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
PubChem CID101318409
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Name1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane
SMILESCC(C)C1CC(C(C)C)C(C(C)C)C(C2CCCCC2)C1
InChIInChI=1S/C21H40/c1-14(2)18-12-19(15(3)4)21(16(5)6)20(13-18)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3
InChIKeyNAERJSHXIQCDPV-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,4-Trimethylcyclohexane
CID 91517
2-Methyldecalin
CID 94249
1,2,4,5-Tetramethylcyclohexane
CID 92914
cis,trans,cis-1,2,4-Trimethylcyclohexane
CID 12536912
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379
(1S,2S,4S)-1,2,4-trimethylcyclohexane
CID 252327
1Alpha,2beta,4-beta-trimethylcyclohexane
CID 6432704
1,2,3,4-Tetramethylcyclohexane
CID 94277
Cyclohexane, 1-(cyclohexylmethyl)-4-methyl-, trans-
CID 41201
Cyclohexane, 1-(cyclohexylmethyl)-2-methyl-, cis-
CID 143210
Amorphane
CID 34540

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane?
The IUPAC name of 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane (CID 101318409) is 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane.
What is the SMILES notation for 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane?
The canonical SMILES for 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane is CC(C)C1CC(C(C)C)C(C(C)C)C(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane?
The InChIKey is NAERJSHXIQCDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-14(2)18-12-19(15(3)4)21(16(5)6)20(13-18)17-10-8-7-9-11-17/h14-21H,7-13H2,1-6H3.
What are the key properties of 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane?
1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane has a molecular weight of 292.55 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,3,5-tri(propan-2-yl)cyclohexane is sourced from PubChem (CID 101318409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).