propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol

C17H26O — CID 142281411

IUPACpropane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC
InChIInChI=1S/C14H18O.C3H8/c1-6-11(2)7-8-12(3)13(4)9-10-14(5)15;1-3-2/h7-10,15H,2-6H2,1H3;3H2,1-2H3/b8-7-,10-9-;
InChIKeyYBHJBHNCULPYAM-CGGPWJJTSA-N
MW246.39 g/mol
LogP5.67
Rot. Bonds6

About propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol

propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol (PubChem CID 142281411) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol.

Molecular Properties

Compound Namepropane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
PubChem CID142281411
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Namepropane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
SMILESC=C(O)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC
InChIInChI=1S/C14H18O.C3H8/c1-6-11(2)7-8-12(3)13(4)9-10-14(5)15;1-3-2/h7-10,15H,2-6H2,1H3;3H2,1-2H3/b8-7-,10-9-;
InChIKeyYBHJBHNCULPYAM-CGGPWJJTSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.39
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
ethene;(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene
CID 145059823
(3Z,7E)-7-fluoro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145234991
(3Z,7E)-7-chloro-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol
CID 145235095
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
(Z)-2,3,6-trimethylidene-N-prop-1-en-2-yloct-4-en-1-imine
CID 145480541
(Z)-N-ethenyl-2,3,6-trimethylideneoct-4-en-1-imine
CID 145480572
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(2Z,4Z)-2-chloro-6-methylideneocta-2,4-dien-3-ol
CID 142113261

Frequently Asked Questions

What is the IUPAC name of propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol?
The IUPAC name of propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol (CID 142281411) is propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol.
What is the SMILES notation for propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol?
The canonical SMILES for propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol is C=C(O)/C=C\C(=C)C(=C)/C=C/C(=C)CC.CCC.
What is the InChIKey of propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol?
The InChIKey is YBHJBHNCULPYAM-CGGPWJJTSA-N. The full InChI is InChI=1S/C14H18O.C3H8/c1-6-11(2)7-8-12(3)13(4)9-10-14(5)15;1-3-2/h7-10,15H,2-6H2,1H3;3H2,1-2H3/b8-7-,10-9-;.
What are the key properties of propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol?
propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol has a molecular weight of 246.39 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(3Z,7Z)-5,6,9-trimethylideneundeca-1,3,7-trien-2-ol is sourced from PubChem (CID 142281411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).