ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene

C25H44 — CID 145429126

IUPACethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene
SMILESCC.CCCc1ccc([C@@H]2CCC(C)(CC)C(CCC)C2(C)C)cc1
InChIInChI=1S/C23H38.C2H6/c1-7-10-18-12-14-19(15-13-18)20-16-17-23(6,9-3)21(11-8-2)22(20,4)5;1-2/h12-15,20-21H,7-11,16-17H2,1-6H3;1-2H3/t20-,21?,23?;/m0./s1
InChIKeyDLIDDHSLVGENND-TUKXYOOQSA-N
MW344.63 g/mol
LogP8.40
Rot. Bonds6

About ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene

ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene (PubChem CID 145429126) has the molecular formula C25H44 and a molecular weight of 344.63 g/mol. Its IUPAC name is ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene.

Molecular Properties

Compound Nameethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene
PubChem CID145429126
Molecular FormulaC25H44
Molecular Weight344.63 g/mol
Exact Mass344.34
IUPAC Nameethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene
SMILESCC.CCCc1ccc([C@@H]2CCC(C)(CC)C(CCC)C2(C)C)cc1
InChIInChI=1S/C23H38.C2H6/c1-7-10-18-12-14-19(15-13-18)20-16-17-23(6,9-3)21(11-8-2)22(20,4)5;1-2/h12-15,20-21H,7-11,16-17H2,1-6H3;1-2H3/t20-,21?,23?;/m0./s1
InChIKeyDLIDDHSLVGENND-TUKXYOOQSA-N
XLogP8.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.63
LogP ≤ 58.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene?
The IUPAC name of ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene (CID 145429126) is ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene.
What is the SMILES notation for ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene?
The canonical SMILES for ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene is CC.CCCc1ccc([C@@H]2CCC(C)(CC)C(CCC)C2(C)C)cc1.
What is the InChIKey of ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene?
The InChIKey is DLIDDHSLVGENND-TUKXYOOQSA-N. The full InChI is InChI=1S/C23H38.C2H6/c1-7-10-18-12-14-19(15-13-18)20-16-17-23(6,9-3)21(11-8-2)22(20,4)5;1-2/h12-15,20-21H,7-11,16-17H2,1-6H3;1-2H3/t20-,21?,23?;/m0./s1.
What are the key properties of ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene?
ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene has a molecular weight of 344.63 g/mol, XLogP of 8.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(1R)-4-ethyl-2,2,4-trimethyl-3-propylcyclohexyl]-4-propylbenzene is sourced from PubChem (CID 145429126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).