2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene

C12H18 — CID 86157820

IUPAC2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene
SMILESCC1=CCC(=C(C)C)CC=C1C
InChIInChI=1S/C12H18/c1-9(2)12-7-5-10(3)11(4)6-8-12/h5-6H,7-8H2,1-4H3
InChIKeyNSORUYZEPVGONB-UHFFFAOYSA-N
MW162.28 g/mol
LogP4.01
Rot. Bonds

About 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene

2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene (PubChem CID 86157820) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene.

Molecular Properties

Compound Name2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene
PubChem CID86157820
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene
SMILESCC1=CCC(=C(C)C)CC=C1C
InChIInChI=1S/C12H18/c1-9(2)12-7-5-10(3)11(4)6-8-12/h5-6H,7-8H2,1-4H3
InChIKeyNSORUYZEPVGONB-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

(NZ)-N-(2-methyl-5-propan-2-ylidenecyclohex-2-en-1-ylidene)hydroxylamine
CID 45096266
(1R)-2-methyl-5-propan-2-ylidenecyclohex-2-en-1-ol
CID 102442221
(1E,5E,9E)-1,5,9-trimethyl-12-propan-2-ylidenecyclotetradeca-1,5,9-triene
CID 14336535
(1R)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-ol
CID 162923508
4-methyl-1-propan-2-ylcyclohex-3-ene-1-thiol;1-methyl-4-propan-2-ylidenecyclohexene
CID 159303121
[(1R,6E)-2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl] acetate
CID 163193190
(2,6-dimethyl-9-propan-2-ylidenecyclodeca-2,6-dien-1-yl) acetate
CID 162948395
1,8a-dimethyl-7-propan-2-ylidene-1,2,6,8-tetrahydronaphthalene
CID 608753
(2,3-dimethylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 123647541
2,5-dimethyl-4H-thiopyran
CID 18339227
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
CID 21105891
1,4-dimethylcyclohexa-1,4-diene
CID 4589179

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene?
The IUPAC name of 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene (CID 86157820) is 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene.
What is the SMILES notation for 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene?
The canonical SMILES for 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene is CC1=CCC(=C(C)C)CC=C1C.
What is the InChIKey of 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene?
The InChIKey is NSORUYZEPVGONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-9(2)12-7-5-10(3)11(4)6-8-12/h5-6H,7-8H2,1-4H3.
What are the key properties of 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene?
2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene has a molecular weight of 162.28 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-propan-2-ylidenecyclohepta-1,3-diene is sourced from PubChem (CID 86157820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).