(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene

C11H16 — CID 143367842

IUPAC(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
SMILESC=CC(C)=C(/C=C\C)/C=C\C
InChIInChI=1S/C11H16/c1-5-8-11(9-6-2)10(4)7-3/h5-9H,3H2,1-2,4H3/b8-5-,9-6-
InChIKeyJAXQTKRHFJMPPQ-VVRUXRSYSA-N
MW148.25 g/mol
LogP3.64
Rot. Bonds3

About (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene

(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene (PubChem CID 143367842) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene.

Molecular Properties

Compound Name(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
PubChem CID143367842
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene
SMILESC=CC(C)=C(/C=C\C)/C=C\C
InChIInChI=1S/C11H16/c1-5-8-11(9-6-2)10(4)7-3/h5-9H,3H2,1-2,4H3/b8-5-,9-6-
InChIKeyJAXQTKRHFJMPPQ-VVRUXRSYSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;methane;(3E,5Z)-3-methyl-4-[(Z)-prop-1-enyl]octa-1,3,5,7-tetraene
CID 143006430
(5E)-3,4-bis(ethenyl)hepta-1,3,5-triene
CID 142110830
(3E,5Z)-3-methylhepta-1,3,5-trien-4-ol
CID 89289034
(3E,5Z)-4-bromo-3-methylhepta-1,3,5-triene
CID 144800259
(2Z,4E,6Z)-4,5-bis(ethenyl)octa-2,4,6-triene;ethane;propan-2-one
CID 144596817
ethane;3-ethenyl-4-methylhexa-1,3,5-triene
CID 162531355
(3Z,5Z,7Z)-5-ethenyl-3,6-dimethyl-4-[(Z)-prop-1-enyl]nona-1,3,5,7-tetraene
CID 166107909
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001
(2Z,4E,6Z)-5-ethenylocta-2,4,6-trien-4-amine
CID 170027215
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
3,4-dimethylpenta-1,3-diene
CID 6713443
(3E,5Z)-N-ethenyl-N,3-dimethylhepta-1,3,5-trien-4-amine
CID 142987567

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene?
The IUPAC name of (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene (CID 143367842) is (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene.
What is the SMILES notation for (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene?
The canonical SMILES for (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene is C=CC(C)=C(/C=C\C)/C=C\C.
What is the InChIKey of (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene?
The InChIKey is JAXQTKRHFJMPPQ-VVRUXRSYSA-N. The full InChI is InChI=1S/C11H16/c1-5-8-11(9-6-2)10(4)7-3/h5-9H,3H2,1-2,4H3/b8-5-,9-6-.
What are the key properties of (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene?
(5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene has a molecular weight of 148.25 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-4-[(Z)-prop-1-enyl]hepta-1,3,5-triene is sourced from PubChem (CID 143367842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).