1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene

C11H16 — CID 143620880

IUPAC1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1=CC(C)CC(C)=C1
InChIInChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyBYBYCAQDVGQQIB-SNAWJCMRSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds1

About 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene

1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 143620880) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID143620880
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C/C1=CC(C)CC(C)=C1
InChIInChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h4-5,7-9H,6H2,1-3H3/b5-4+
InChIKeyBYBYCAQDVGQQIB-SNAWJCMRSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3S)-3,5-dimethyl-2-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-amine
CID 130217119
(3S)-1,3-dimethylcyclobutene
CID 58737300
1-fluoro-5-methyl-3-[(E)-2-(3-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-1,3-diene
CID 170147091
5-chloro-3-[(E)-2-(5-fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethenyl]cyclohexa-2,4-diene-1-carbaldehyde
CID 170147089
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548
2-(3,5-dimethylcyclohexa-2,4-dien-1-yl)pent-3-en-2-ylphosphane
CID 142155508
2,5,7-trimethyl-2,3,4,5-tetrahydro-1H-inden-1-ol
CID 140968985
N-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-3,5-dimethyl-N-phenylaniline
CID 142315177
1,3,4,5-tetramethylcyclohexene
CID 12751050
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
(3,5-dimethylcyclohexa-1,3-dien-1-yl)methanol
CID 142213617
(1R,5R)-3,5-dimethylcyclohex-3-ene-1-carbaldehyde
CID 76969259

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene (CID 143620880) is 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C/C1=CC(C)CC(C)=C1.
What is the InChIKey of 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is BYBYCAQDVGQQIB-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16/c1-4-5-11-7-9(2)6-10(3)8-11/h4-5,7-9H,6H2,1-3H3/b5-4+.
What are the key properties of 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene?
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 143620880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).