2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene

C22H34 — CID 174103745

IUPAC2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene
SMILESCc1c(CCCC2(C)CC2)ccc(CCCC2(C)CC2)c1C
InChIInChI=1S/C22H34/c1-17-18(2)20(8-6-12-22(4)15-16-22)10-9-19(17)7-5-11-21(3)13-14-21/h9-10H,5-8,11-16H2,1-4H3
InChIKeyKDULPVPPBQCARO-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.55
Rot. Bonds8

About 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene

2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene (PubChem CID 174103745) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene.

Molecular Properties

Compound Name2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene
PubChem CID174103745
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene
SMILESCc1c(CCCC2(C)CC2)ccc(CCCC2(C)CC2)c1C
InChIInChI=1S/C22H34/c1-17-18(2)20(8-6-12-22(4)15-16-22)10-9-19(17)7-5-11-21(3)13-14-21/h9-10H,5-8,11-16H2,1-4H3
InChIKeyKDULPVPPBQCARO-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene?
The IUPAC name of 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene (CID 174103745) is 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene.
What is the SMILES notation for 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene?
The canonical SMILES for 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene is Cc1c(CCCC2(C)CC2)ccc(CCCC2(C)CC2)c1C.
What is the InChIKey of 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene?
The InChIKey is KDULPVPPBQCARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-17-18(2)20(8-6-12-22(4)15-16-22)10-9-19(17)7-5-11-21(3)13-14-21/h9-10H,5-8,11-16H2,1-4H3.
What are the key properties of 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene?
2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene has a molecular weight of 298.51 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,4-bis[3-(1-methylcyclopropyl)propyl]benzene is sourced from PubChem (CID 174103745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).