(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene

C14H20 — CID 143450830

IUPAC(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
SMILESC=C/C(C)=C\C(=C\C=C/C)\C(C)=C/C
InChIInChI=1S/C14H20/c1-6-9-10-14(13(5)8-3)11-12(4)7-2/h6-11H,2H2,1,3-5H3/b9-6-,12-11-,13-8-,14-10-
InChIKeyIUIGJTBQKDKCNM-ZYHMSLLFSA-N
MW188.31 g/mol
LogP4.59
Rot. Bonds4

About (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene

(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene (PubChem CID 143450830) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
PubChem CID143450830
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene
SMILESC=C/C(C)=C\C(=C\C=C/C)\C(C)=C/C
InChIInChI=1S/C14H20/c1-6-9-10-14(13(5)8-3)11-12(4)7-2/h6-11H,2H2,1,3-5H3/b9-6-,12-11-,13-8-,14-10-
InChIKeyIUIGJTBQKDKCNM-ZYHMSLLFSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.59
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

(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
methane;(3E,5Z,7Z)-3-methylnona-1,3,5,7-tetraene
CID 144724119
(2E,4E,6Z,8E)-3,6-dimethyldeca-2,4,6,8-tetraen-4-ol
CID 143088479
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
(3E,6E,8Z)-4-methyl-6-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraen-5-one
CID 130346277
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
(3E,5E)-5-methyl-4-(2-methylprop-1-enyl)hepta-1,3,5-triene;2-methylprop-1-ene
CID 145084026
N-[(2Z,4E,6Z)-4-ethenylocta-2,4,6-trien-3-yl]butan-2-imine
CID 155717476
(3E,5E,6Z,8E)-5-[(Z)-but-2-enylidene]-4-[(Z)-prop-1-enyl]deca-1,3,6,8-tetraene
CID 145151868
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene?
The IUPAC name of (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene (CID 143450830) is (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene.
What is the SMILES notation for (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene?
The canonical SMILES for (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene is C=C/C(C)=C\C(=C\C=C/C)\C(C)=C/C.
What is the InChIKey of (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene?
The InChIKey is IUIGJTBQKDKCNM-ZYHMSLLFSA-N. The full InChI is InChI=1S/C14H20/c1-6-9-10-14(13(5)8-3)11-12(4)7-2/h6-11H,2H2,1,3-5H3/b9-6-,12-11-,13-8-,14-10-.
What are the key properties of (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene?
(3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene has a molecular weight of 188.31 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-5-[(Z)-but-2-en-2-yl]-3-methylnona-1,3,5,7-tetraene is sourced from PubChem (CID 143450830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).