4-ethenyl-4-propan-2-ylhepta-1,6-diene

C12H20 — CID 23385053

IUPAC4-ethenyl-4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(C=C)(CC=C)C(C)C
InChIInChI=1S/C12H20/c1-6-9-12(8-3,10-7-2)11(4)5/h6-8,11H,1-3,9-10H2,4-5H3
InChIKeyJXTQSTOAUFGKDV-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.97
Rot. Bonds6

About 4-ethenyl-4-propan-2-ylhepta-1,6-diene

4-ethenyl-4-propan-2-ylhepta-1,6-diene (PubChem CID 23385053) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 4-ethenyl-4-propan-2-ylhepta-1,6-diene.

Molecular Properties

Compound Name4-ethenyl-4-propan-2-ylhepta-1,6-diene
PubChem CID23385053
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name4-ethenyl-4-propan-2-ylhepta-1,6-diene
SMILESC=CCC(C=C)(CC=C)C(C)C
InChIInChI=1S/C12H20/c1-6-9-12(8-3,10-7-2)11(4)5/h6-8,11H,1-3,9-10H2,4-5H3
InChIKeyJXTQSTOAUFGKDV-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.97
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

3-ethenyl-3-ethylhex-5-en-2-ol
CID 20501711
4,4-diethyl-5-methylhex-1-ene
CID 23384984
3-amino-2-methylhex-5-en-3-ol
CID 87728442
(3R)-3-ethyl-2-methylhex-5-en-3-ol
CID 59911066
3,3-dimethylhex-5-en-2-amine
CID 130019272
(4S)-4-propan-2-ylhept-1-en-4-ol
CID 59911380
3,3,4,4,5-pentamethylhex-1-ene
CID 23384855
4-methoxy-4-prop-2-enylhepta-1,6-diene
CID 164754119
lithium 4-methanidyl-4-methylpent-1-ene
CID 134840187
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
CID 174848578
3-methylhexa-1,5-diene-3-thiol
CID 123943954
3-methylhexa-1,5-dien-3-olate
CID 101095680

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-4-propan-2-ylhepta-1,6-diene?
The IUPAC name of 4-ethenyl-4-propan-2-ylhepta-1,6-diene (CID 23385053) is 4-ethenyl-4-propan-2-ylhepta-1,6-diene.
What is the SMILES notation for 4-ethenyl-4-propan-2-ylhepta-1,6-diene?
The canonical SMILES for 4-ethenyl-4-propan-2-ylhepta-1,6-diene is C=CCC(C=C)(CC=C)C(C)C.
What is the InChIKey of 4-ethenyl-4-propan-2-ylhepta-1,6-diene?
The InChIKey is JXTQSTOAUFGKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-6-9-12(8-3,10-7-2)11(4)5/h6-8,11H,1-3,9-10H2,4-5H3.
What are the key properties of 4-ethenyl-4-propan-2-ylhepta-1,6-diene?
4-ethenyl-4-propan-2-ylhepta-1,6-diene has a molecular weight of 164.29 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-4-propan-2-ylhepta-1,6-diene is sourced from PubChem (CID 23385053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).