1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene

C14H22 — CID 58674044

IUPAC1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1CC(C)=CC(C)C1C(=C)C
InChIInChI=1S/C14H22/c1-9(2)13-8-11(5)7-12(6)14(13)10(3)4/h7,12-14H,1,3,8H2,2,4-6H3
InChIKeyLMRURSHMRIVREV-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.36
Rot. Bonds2

About 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene

1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene (PubChem CID 58674044) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene.

Molecular Properties

Compound Name1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene
PubChem CID58674044
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene
SMILESC=C(C)C1CC(C)=CC(C)C1C(=C)C
InChIInChI=1S/C14H22/c1-9(2)13-8-11(5)7-12(6)14(13)10(3)4/h7,12-14H,1,3,8H2,2,4-6H3
InChIKeyLMRURSHMRIVREV-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1,3-dimethyl-4-prop-1-en-2-ylcyclohexene
CID 167459403
(1R,2S,3S)-3,5-dimethylcyclohex-4-ene-1,2-dicarboxylic acid
CID 7071592
(1S,2R,3R)-3,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 11871326
1-(3,5,6-trimethylcyclohex-3-en-1-yl)propan-1-one
CID 174793746
6-methoxycarbonyl-2,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2867460
1,3,4,5-tetramethylcyclohexene
CID 12751050
[(6-acetyl-3,5-dimethylcyclohex-3-ene-1-carbonyl)amino] hydrogen sulfite
CID 163439772
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-(3,5,6-trimethylcyclohex-3-en-1-yl)but-2-en-1-one
CID 71327435
(4R,5S)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 91747382
(4S,5R)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14379179
(1R)-4,7-dimethyl-1-prop-1-en-2-yl-1,2,3,4,4a,5,6,8a-octahydronaphthalene;methane
CID 143590752

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene?
The IUPAC name of 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene (CID 58674044) is 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene.
What is the SMILES notation for 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene?
The canonical SMILES for 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene is C=C(C)C1CC(C)=CC(C)C1C(=C)C.
What is the InChIKey of 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene?
The InChIKey is LMRURSHMRIVREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-9(2)13-8-11(5)7-12(6)14(13)10(3)4/h7,12-14H,1,3,8H2,2,4-6H3.
What are the key properties of 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene?
1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene has a molecular weight of 190.33 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4,5-bis(prop-1-en-2-yl)cyclohexene is sourced from PubChem (CID 58674044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).