3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene

C23H34 — CID 155697541

IUPAC3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene
SMILESCCCc1ccc(CC(C)CC2=CC=CCC2C)c(C)c1CC
InChIInChI=1S/C23H34/c1-6-10-20-13-14-22(19(5)23(20)7-2)16-17(3)15-21-12-9-8-11-18(21)4/h8-9,12-14,17-18H,6-7,10-11,15-16H2,1-5H3
InChIKeyRVHHXFANSLILCC-UHFFFAOYSA-N
MW310.53 g/mol
LogP6.60
Rot. Bonds7

About 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene

3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene (PubChem CID 155697541) has the molecular formula C23H34 and a molecular weight of 310.53 g/mol. Its IUPAC name is 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene.

Molecular Properties

Compound Name3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene
PubChem CID155697541
Molecular FormulaC23H34
Molecular Weight310.53 g/mol
Exact Mass310.27
IUPAC Name3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene
SMILESCCCc1ccc(CC(C)CC2=CC=CCC2C)c(C)c1CC
InChIInChI=1S/C23H34/c1-6-10-20-13-14-22(19(5)23(20)7-2)16-17(3)15-21-12-9-8-11-18(21)4/h8-9,12-14,17-18H,6-7,10-11,15-16H2,1-5H3
InChIKeyRVHHXFANSLILCC-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.53
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
2-ethyl-3-methyl-1,4-dipropylbenzene
CID 155697581
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
2-amino-3-(6-methylcyclohexa-1,3-dien-1-yl)propanoic acid
CID 149153499
4-[(1E,3E,7Z)-6-methyl-7-propylcycloocta-1,3,7-trien-1-yl]oxyaniline
CID 143097022
1,3-diethyl-2-methyl-4-propylbenzene;ethane;1-methyl-2-(2-methylpropyl)benzene;propan-2-ylidenecyclohexane
CID 155697587
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
(2S,3S)-3-amino-1-[amino(methyl)amino]-4-(6-methylcyclohexa-1,3-dien-1-yl)butan-2-ol
CID 144524923
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
1-ethyl-6-propylcyclohexa-1,3-diene
CID 91233524

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene?
The IUPAC name of 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene (CID 155697541) is 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene.
What is the SMILES notation for 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene?
The canonical SMILES for 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene is CCCc1ccc(CC(C)CC2=CC=CCC2C)c(C)c1CC.
What is the InChIKey of 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene?
The InChIKey is RVHHXFANSLILCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34/c1-6-10-20-13-14-22(19(5)23(20)7-2)16-17(3)15-21-12-9-8-11-18(21)4/h8-9,12-14,17-18H,6-7,10-11,15-16H2,1-5H3.
What are the key properties of 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene?
3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene has a molecular weight of 310.53 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-1-[2-methyl-3-(6-methylcyclohexa-1,3-dien-1-yl)propyl]-4-propylbenzene is sourced from PubChem (CID 155697541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).