6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene

C15H22 — CID 123924693

IUPAC6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
SMILESC=C(C)C(=CC=CC)C(C=CC)=C(C)C
InChIInChI=1S/C15H22/c1-7-9-11-15(13(5)6)14(10-8-2)12(3)4/h7-11H,5H2,1-4,6H3
InChIKeyFJVQIRNJQFJFCG-UHFFFAOYSA-N
MW202.34 g/mol
LogP4.98
Rot. Bonds4

About 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene

6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene (PubChem CID 123924693) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene.

Molecular Properties

Compound Name6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
PubChem CID123924693
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene
SMILESC=C(C)C(=CC=CC)C(C=CC)=C(C)C
InChIInChI=1S/C15H22/c1-7-9-11-15(13(5)6)14(10-8-2)12(3)4/h7-11H,5H2,1-4,6H3
InChIKeyFJVQIRNJQFJFCG-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.98
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

(4Z)-2-methyl-3-propan-2-ylidenehexa-1,4-diene
CID 142293143
(2E,4Z)-N,2-bis(prop-1-en-2-yl)hexa-2,4-dienamide
CID 142187285
(2E,4Z)-N-(methylideneamino)-2-prop-1-en-2-ylhexa-2,4-dienamide
CID 176580787
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(3Z,8Z,10Z)-8-ethenyl-6-methylidene-5-propan-2-ylidenedodeca-1,3,8,10-tetraene
CID 177318715
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
(3E,5Z)-2-hydrazinylhepta-1,3,5-trien-3-amine
CID 134408250
6-methyl-5-prop-1-en-2-ylnona-1,3,5,7-tetraene
CID 123254691
(3Z,5Z)-4-prop-1-en-2-ylhepta-1,3,5-trien-3-amine
CID 155176361
(3E,5Z)-3-methyl-4-(3-methylbuta-1,3-dien-2-yl)hepta-1,3,5-triene
CID 143168001

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The IUPAC name of 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene (CID 123924693) is 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene.
What is the SMILES notation for 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The canonical SMILES for 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene is C=C(C)C(=CC=CC)C(C=CC)=C(C)C.
What is the InChIKey of 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
The InChIKey is FJVQIRNJQFJFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22/c1-7-9-11-15(13(5)6)14(10-8-2)12(3)4/h7-11H,5H2,1-4,6H3.
What are the key properties of 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene?
6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene has a molecular weight of 202.34 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylidene-5-prop-1-en-2-ylnona-2,4,7-triene is sourced from PubChem (CID 123924693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).