1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane

C25H46 — CID 91346201

IUPAC1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
SMILESCCCC1CC(C2CCC(C(C)C)CC2)CCC1C1CCC(C)CC1
InChIInChI=1S/C25H46/c1-5-6-24-17-23(21-13-11-20(12-14-21)18(2)3)15-16-25(24)22-9-7-19(4)8-10-22/h18-25H,5-17H2,1-4H3
InChIKeyKLNRVBSWBGUHAG-UHFFFAOYSA-N
MW346.64 g/mol
LogP8.11
Rot. Bonds5

About 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane

1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane (PubChem CID 91346201) has the molecular formula C25H46 and a molecular weight of 346.64 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
PubChem CID91346201
Molecular FormulaC25H46
Molecular Weight346.64 g/mol
Exact Mass346.36
IUPAC Name1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane
SMILESCCCC1CC(C2CCC(C(C)C)CC2)CCC1C1CCC(C)CC1
InChIInChI=1S/C25H46/c1-5-6-24-17-23(21-13-11-20(12-14-21)18(2)3)15-16-25(24)22-9-7-19(4)8-10-22/h18-25H,5-17H2,1-4H3
InChIKeyKLNRVBSWBGUHAG-UHFFFAOYSA-N
XLogP8.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.64
LogP ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 21971
Tetradecahydroanthracene
CID 93034
2-Methyladamantane
CID 136535
Naphthalene, decahydro-1,4-dimethyl-5-octyl-
CID 41260
Tricyclohexylmethane
CID 137109
1,1':3',1''-Tercyclohexane
CID 137167
p-Tercyclohexyl
CID 137209
Anthracene, 9-dodecyltetradecahydro-
CID 294752
9-n-Dodecylperhydrophenanthrene
CID 296267
Anthracene, 9-butyltetradecahydro-
CID 299553
Decahydro-1,6-methanonaphthalene
CID 511452
Abietane
CID 6857485

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane?
The IUPAC name of 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane (CID 91346201) is 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane.
What is the SMILES notation for 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane?
The canonical SMILES for 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane is CCCC1CC(C2CCC(C(C)C)CC2)CCC1C1CCC(C)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane?
The InChIKey is KLNRVBSWBGUHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46/c1-5-6-24-17-23(21-13-11-20(12-14-21)18(2)3)15-16-25(24)22-9-7-19(4)8-10-22/h18-25H,5-17H2,1-4H3.
What are the key properties of 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane?
1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane has a molecular weight of 346.64 g/mol, XLogP of 8.11, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-4-(4-propan-2-ylcyclohexyl)-2-propylcyclohexane is sourced from PubChem (CID 91346201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).