ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene

C15H32 — CID 144723819

IUPACethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
SMILESC.C=C/C=C\C(=C/C)C(C)C.CC.CC
InChIInChI=1S/C10H16.2C2H6.CH4/c1-5-7-8-10(6-2)9(3)4;2*1-2;/h5-9H,1H2,2-4H3;2*1-2H3;1H4/b8-7-,10-6+;;;
InChIKeySDCGOPNGCHMDHV-ITAMDNGESA-N
MW212.42 g/mol
LogP6.02
Rot. Bonds3

About ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene

ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene (PubChem CID 144723819) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
PubChem CID144723819
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Nameethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
SMILESC.C=C/C=C\C(=C/C)C(C)C.CC.CC
InChIInChI=1S/C10H16.2C2H6.CH4/c1-5-7-8-10(6-2)9(3)4;2*1-2;/h5-9H,1H2,2-4H3;2*1-2H3;1H4/b8-7-,10-6+;;;
InChIKeySDCGOPNGCHMDHV-ITAMDNGESA-N
XLogP6.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.02
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-propan-2-ylocta-1,3,5-triene
CID 143760343
4-propan-2-ylhexa-2,4-dienylidenevanadium
CID 161094139
(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
CID 145158444
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
ethane;(3Z,5Z)-2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 142092985
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976
(1E,3Z,5Z)-N,N-dimethyl-5-propan-2-ylhepta-1,3,5-trien-1-amine
CID 142308871
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
2-methyl-5-propan-2-ylhepta-1,3,5-triene
CID 76662883
ethane;methane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 162518558
(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
CID 143745715

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene (CID 144723819) is ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene is C.C=C/C=C\C(=C/C)C(C)C.CC.CC.
What is the InChIKey of ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene?
The InChIKey is SDCGOPNGCHMDHV-ITAMDNGESA-N. The full InChI is InChI=1S/C10H16.2C2H6.CH4/c1-5-7-8-10(6-2)9(3)4;2*1-2;/h5-9H,1H2,2-4H3;2*1-2H3;1H4/b8-7-,10-6+;;;.
What are the key properties of ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene?
ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene has a molecular weight of 212.42 g/mol, XLogP of 6.02, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 144723819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).