(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane

C15H30 — CID 145049129

IUPAC(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
SMILESC=C/C=C\C=C(\C)CC(C)C.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-5-6-7-8-11(4)9-10(2)3;2*1-2/h5-8,10H,1,9H2,2-4H3;2*1-2H3/b7-6-,11-8-;;
InChIKeyMMCOMJFCHOLHOV-LVUVKNGVSA-N
MW210.40 g/mol
LogP5.77
Rot. Bonds4

About (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane

(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane (PubChem CID 145049129) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane.

Molecular Properties

Compound Name(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
PubChem CID145049129
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane
SMILESC=C/C=C\C=C(\C)CC(C)C.CC.CC
InChIInChI=1S/C11H18.2C2H6/c1-5-6-7-8-11(4)9-10(2)3;2*1-2/h5-8,10H,1,9H2,2-4H3;2*1-2H3/b7-6-,11-8-;;
InChIKeyMMCOMJFCHOLHOV-LVUVKNGVSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.77
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,5E)-6,8-dimethylnona-1,3,5-triene
CID 174045679
1-methoxy-4,6-dimethylhepta-1,3-diene
CID 123970131
6,10,14-trimethylpentadeca-1,3,5-triene
CID 154255847
(4E,6Z)-2-amino-4-methylnona-4,6,8-trienoic acid;bromomethane
CID 142823781
(3E,5Z)-3-methylocta-3,5,7-trien-1-ol
CID 89264860
(3Z,5Z)-3-methylocta-3,5,7-trien-1-amine
CID 89153979
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
(4E,6Z)-4-methylnona-1,4,6,8-tetraen-2-amine
CID 155465991
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
CID 173495627
CID 173495627
(4E)-4-methylhepta-4,6-dien-2-amine
CID 144723501
ethane;N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]carbamoyl chloride
CID 142013369

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane?
The IUPAC name of (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane (CID 145049129) is (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane.
What is the SMILES notation for (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane?
The canonical SMILES for (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane is C=C/C=C\C=C(\C)CC(C)C.CC.CC.
What is the InChIKey of (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane?
The InChIKey is MMCOMJFCHOLHOV-LVUVKNGVSA-N. The full InChI is InChI=1S/C11H18.2C2H6/c1-5-6-7-8-11(4)9-10(2)3;2*1-2/h5-8,10H,1,9H2,2-4H3;2*1-2H3/b7-6-,11-8-;;.
What are the key properties of (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane?
(3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane has a molecular weight of 210.40 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6,8-dimethylnona-1,3,5-triene;ethane is sourced from PubChem (CID 145049129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).