3,5-dimethyl-2-propylcyclohepta-1,3,5-triene

C12H18 — CID 123372728

IUPAC3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=C(C)C=C1C
InChIInChI=1S/C12H18/c1-4-6-12-8-5-7-10(2)9-11(12)3/h7-9H,4-6H2,1-3H3
InChIKeyDECCYAVVEBMUHI-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds2

About 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene

3,5-dimethyl-2-propylcyclohepta-1,3,5-triene (PubChem CID 123372728) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
PubChem CID123372728
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name3,5-dimethyl-2-propylcyclohepta-1,3,5-triene
SMILESCCCC1=CCC=C(C)C=C1C
InChIInChI=1S/C12H18/c1-4-6-12-8-5-7-10(2)9-11(12)3/h7-9H,4-6H2,1-3H3
InChIKeyDECCYAVVEBMUHI-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,5-dimethyl-2-(2-methylbutyl)cyclohepta-1,3,5-triene
CID 143923068
2,3-diethyl-5-methylcyclohepta-1,3,5-triene
CID 142887028
(3-ethyl-2-methyl-7-propylcyclohepta-1,3,6-trien-1-yl)phosphane
CID 166651426
3-methyl-1-propylcyclopenta-1,3-diene
CID 18314972
1,2,3,5,5-pentamethyl-4-(5-propylcyclopenta-1,4-dien-1-yl)cyclopenta-1,3-diene
CID 22664460
3-ethyl-2-propylcyclohepta-1,3,5-triene
CID 143180914
hafnium;bis(2-methyl-3-propylcyclopenta-1,3-diene)
CID 173082217
5,7-dimethyl-N-prop-1-en-2-ylcyclohepta-1,4,6-trien-1-amine
CID 142889904
(1E,3Z,5Z)-1-methyl-7,8-dimethylidene-6-propylcycloocta-1,3,5-triene
CID 163384527
N-ethenyl-1-(5-ethyl-6-methylcyclohepta-1,4,6-trien-1-yl)methanimine
CID 142943375
ethyl-methyl-phenyl-(5-propylcyclopenta-1,4-dien-1-yl)silane
CID 173384765
dimethoxy-methyl-[3-(5-methylcyclopenta-1,4-dien-1-yl)propyl]silane
CID 87079251

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene?
The IUPAC name of 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene (CID 123372728) is 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene?
The canonical SMILES for 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene is CCCC1=CCC=C(C)C=C1C.
What is the InChIKey of 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene?
The InChIKey is DECCYAVVEBMUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-4-6-12-8-5-7-10(2)9-11(12)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene?
3,5-dimethyl-2-propylcyclohepta-1,3,5-triene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-propylcyclohepta-1,3,5-triene is sourced from PubChem (CID 123372728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).