ethane;(3Z)-3-methylpenta-1,3-diene;propane

C13H30 — CID 143719744

IUPACethane;(3Z)-3-methylpenta-1,3-diene;propane
SMILESC=C/C(C)=C\C.CC.CC.CCC
InChIInChI=1S/C6H10.C3H8.2C2H6/c1-4-6(3)5-2;1-3-2;2*1-2/h4-5H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyVAVOBAGIRBBVCC-WTUPQPTJSA-N
MW186.38 g/mol
LogP5.61
Rot. Bonds1

About ethane;(3Z)-3-methylpenta-1,3-diene;propane

ethane;(3Z)-3-methylpenta-1,3-diene;propane (PubChem CID 143719744) has the molecular formula C13H30 and a molecular weight of 186.38 g/mol. Its IUPAC name is ethane;(3Z)-3-methylpenta-1,3-diene;propane.

Molecular Properties

Compound Nameethane;(3Z)-3-methylpenta-1,3-diene;propane
PubChem CID143719744
Molecular FormulaC13H30
Molecular Weight186.38 g/mol
Exact Mass186.23
IUPAC Nameethane;(3Z)-3-methylpenta-1,3-diene;propane
SMILESC=C/C(C)=C\C.CC.CC.CCC
InChIInChI=1S/C6H10.C3H8.2C2H6/c1-4-6(3)5-2;1-3-2;2*1-2/h4-5H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b6-5-;;;
InChIKeyVAVOBAGIRBBVCC-WTUPQPTJSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500186.38
LogP ≤ 55.61
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,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
ethane;(3Z,5Z)-5-ethylidene-3-methylocta-1,3-diene
CID 143267495
(2E)-N,N-diethyl-3-methylpenta-2,4-dien-1-amine
CID 34242913
propane;propan-2-one;prop-1-ene
CID 160807834
butane;ethane;propane;prop-1-ene
CID 143366707
2-methylbuta-1,3-diene;(3E)-3-methylhexa-1,3-diene
CID 173395749
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225
(Z)-but-2-ene;(3E,5Z)-3,6-dimethylocta-1,3,5,7-tetraene
CID 163402506
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
(3Z)-3,6,6-trimethylhepta-1,3-diene
CID 143290356
3,7-dimethylnona-1,3,5,7-tetraene
CID 54076671

Frequently Asked Questions

What is the IUPAC name of ethane;(3Z)-3-methylpenta-1,3-diene;propane?
The IUPAC name of ethane;(3Z)-3-methylpenta-1,3-diene;propane (CID 143719744) is ethane;(3Z)-3-methylpenta-1,3-diene;propane.
What is the SMILES notation for ethane;(3Z)-3-methylpenta-1,3-diene;propane?
The canonical SMILES for ethane;(3Z)-3-methylpenta-1,3-diene;propane is C=C/C(C)=C\C.CC.CC.CCC.
What is the InChIKey of ethane;(3Z)-3-methylpenta-1,3-diene;propane?
The InChIKey is VAVOBAGIRBBVCC-WTUPQPTJSA-N. The full InChI is InChI=1S/C6H10.C3H8.2C2H6/c1-4-6(3)5-2;1-3-2;2*1-2/h4-5H,1H2,2-3H3;3H2,1-2H3;2*1-2H3/b6-5-;;;.
What are the key properties of ethane;(3Z)-3-methylpenta-1,3-diene;propane?
ethane;(3Z)-3-methylpenta-1,3-diene;propane has a molecular weight of 186.38 g/mol, XLogP of 5.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3Z)-3-methylpenta-1,3-diene;propane is sourced from PubChem (CID 143719744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).