methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene

C19H30 — CID 143782446

IUPACmethane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
SMILESC.C=C/C=C(\C=C/CC)C(C)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C18H26.CH4/c1-6-10-14-17(12-8-3)16(5)18(13-9-4)15-11-7-2;/h7-16H,3,6H2,1-2,4-5H3;1H4/b11-7-,13-9-,14-10-,17-12+,18-15+;
InChIKeyBTUPPTRQFDQUOM-OAGVYRORSA-N
MW258.45 g/mol
LogP6.42
Rot. Bonds7

About methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene

methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene (PubChem CID 143782446) has the molecular formula C19H30 and a molecular weight of 258.45 g/mol. Its IUPAC name is methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene.

Molecular Properties

Compound Namemethane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
PubChem CID143782446
Molecular FormulaC19H30
Molecular Weight258.45 g/mol
Exact Mass258.23
IUPAC Namemethane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene
SMILESC.C=C/C=C(\C=C/CC)C(C)C(/C=C\C)=C/C=C\C
InChIInChI=1S/C18H26.CH4/c1-6-10-14-17(12-8-3)16(5)18(13-9-4)15-11-7-2;/h7-16H,3,6H2,1-2,4-5H3;1H4/b11-7-,13-9-,14-10-,17-12+,18-15+;
InChIKeyBTUPPTRQFDQUOM-OAGVYRORSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.45
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene?
The IUPAC name of methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene (CID 143782446) is methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene.
What is the SMILES notation for methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene?
The canonical SMILES for methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene is C.C=C/C=C(\C=C/CC)C(C)C(/C=C\C)=C/C=C\C.
What is the InChIKey of methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene?
The InChIKey is BTUPPTRQFDQUOM-OAGVYRORSA-N. The full InChI is InChI=1S/C18H26.CH4/c1-6-10-14-17(12-8-3)16(5)18(13-9-4)15-11-7-2;/h7-16H,3,6H2,1-2,4-5H3;1H4/b11-7-,13-9-,14-10-,17-12+,18-15+;.
What are the key properties of methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene?
methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene has a molecular weight of 258.45 g/mol, XLogP of 6.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2Z,4E,7E,8Z)-6-methyl-5-[(Z)-prop-1-enyl]-7-prop-2-enylideneundeca-2,4,8-triene is sourced from PubChem (CID 143782446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).