(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane

C19H32 — CID 143745715

IUPAC(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
SMILESC=C/C=C\C(=C/C)C(C)C(/C=C\C)=C/CC.CCC
InChIInChI=1S/C16H24.C3H8/c1-6-10-13-15(9-4)14(5)16(11-7-2)12-8-3;1-3-2/h6-7,9-14H,1,8H2,2-5H3;3H2,1-2H3/b11-7-,13-10-,15-9+,16-12+;
InChIKeyFCCVFVVLFAYZKS-JTZZFUSGSA-N
MW260.46 g/mol
LogP6.64
Rot. Bonds6

About (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane

(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane (PubChem CID 143745715) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane.

Molecular Properties

Compound Name(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
PubChem CID143745715
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
SMILESC=C/C=C\C(=C/C)C(C)C(/C=C\C)=C/CC.CCC
InChIInChI=1S/C16H24.C3H8/c1-6-10-13-15(9-4)14(5)16(11-7-2)12-8-3;1-3-2/h6-7,9-14H,1,8H2,2-5H3;3H2,1-2H3/b11-7-,13-10-,15-9+,16-12+;
InChIKeyFCCVFVVLFAYZKS-JTZZFUSGSA-N
XLogP6.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane with MolForge

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Related Compounds

(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
ethane;(3E,6E,7Z)-4-ethenyl-6-ethylidene-5-methylnona-1,3,7-triene
CID 143201659
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
CID 143782446
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
N-methyl-3-prop-1-enylhex-3-en-2-amine
CID 123966839
(2Z,4E)-4-(1-methylsulfanylethyl)hepta-2,4-diene
CID 130428139
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(3Z,5E)-5-(2,3-dimethylbutan-2-yl)octa-1,3,5-triene
CID 145089593
3-iodohex-3-ene;penta-1,3-diene
CID 173447281
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
CID 145158444

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane?
The IUPAC name of (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane (CID 143745715) is (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane.
What is the SMILES notation for (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane?
The canonical SMILES for (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane is C=C/C=C\C(=C/C)C(C)C(/C=C\C)=C/CC.CCC.
What is the InChIKey of (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane?
The InChIKey is FCCVFVVLFAYZKS-JTZZFUSGSA-N. The full InChI is InChI=1S/C16H24.C3H8/c1-6-10-13-15(9-4)14(5)16(11-7-2)12-8-3;1-3-2/h6-7,9-14H,1,8H2,2-5H3;3H2,1-2H3/b11-7-,13-10-,15-9+,16-12+;.
What are the key properties of (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane?
(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane has a molecular weight of 260.46 g/mol, XLogP of 6.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane is sourced from PubChem (CID 143745715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).