ethane;[4-(3-methylbutyl)cyclohexyl]benzene

C19H32 — CID 163392259

IUPACethane;[4-(3-methylbutyl)cyclohexyl]benzene
SMILESCC.CC(C)CCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26.C2H6/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-2/h3-7,14-15,17H,8-13H2,1-2H3;1-2H3
InChIKeyOBDWAFXVMHPOMU-UHFFFAOYSA-N
MW260.47 g/mol
LogP6.42
Rot. Bonds4

About ethane;[4-(3-methylbutyl)cyclohexyl]benzene

ethane;[4-(3-methylbutyl)cyclohexyl]benzene (PubChem CID 163392259) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is ethane;[4-(3-methylbutyl)cyclohexyl]benzene.

Molecular Properties

Compound Nameethane;[4-(3-methylbutyl)cyclohexyl]benzene
PubChem CID163392259
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Nameethane;[4-(3-methylbutyl)cyclohexyl]benzene
SMILESCC.CC(C)CCC1CCC(c2ccccc2)CC1
InChIInChI=1S/C17H26.C2H6/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-2/h3-7,14-15,17H,8-13H2,1-2H3;1-2H3
InChIKeyOBDWAFXVMHPOMU-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-(3-methylbutyl)cyclohexyl]benzene?
The IUPAC name of ethane;[4-(3-methylbutyl)cyclohexyl]benzene (CID 163392259) is ethane;[4-(3-methylbutyl)cyclohexyl]benzene.
What is the SMILES notation for ethane;[4-(3-methylbutyl)cyclohexyl]benzene?
The canonical SMILES for ethane;[4-(3-methylbutyl)cyclohexyl]benzene is CC.CC(C)CCC1CCC(c2ccccc2)CC1.
What is the InChIKey of ethane;[4-(3-methylbutyl)cyclohexyl]benzene?
The InChIKey is OBDWAFXVMHPOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26.C2H6/c1-14(2)8-9-15-10-12-17(13-11-15)16-6-4-3-5-7-16;1-2/h3-7,14-15,17H,8-13H2,1-2H3;1-2H3.
What are the key properties of ethane;[4-(3-methylbutyl)cyclohexyl]benzene?
ethane;[4-(3-methylbutyl)cyclohexyl]benzene has a molecular weight of 260.47 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(3-methylbutyl)cyclohexyl]benzene is sourced from PubChem (CID 163392259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).