(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol

C8H15OP — CID 100981311

IUPAC(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol
SMILESCC(C)=CC(O)C/C=C/P
InChIInChI=1S/C8H15OP/c1-7(2)6-8(9)4-3-5-10/h3,5-6,8-9H,4,10H2,1-2H3/b5-3+
InChIKeyWUCJTHFZTUQJJH-HWKANZROSA-N
MW158.18 g/mol
LogP2.09
Rot. Bonds3

About (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol

(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol (PubChem CID 100981311) has the molecular formula C8H15OP and a molecular weight of 158.18 g/mol. Its IUPAC name is (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol.

Molecular Properties

Compound Name(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol
PubChem CID100981311
Molecular FormulaC8H15OP
Molecular Weight158.18 g/mol
Exact Mass158.09
IUPAC Name(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol
SMILESCC(C)=CC(O)C/C=C/P
InChIInChI=1S/C8H15OP/c1-7(2)6-8(9)4-3-5-10/h3,5-6,8-9H,4,10H2,1-2H3/b5-3+
InChIKeyWUCJTHFZTUQJJH-HWKANZROSA-N
XLogP2.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylocta-2,6-dien-4-ol
CID 57084943
2,6-dimethylocta-2,7-dien-4-ol
CID 15596211
8-methylnon-7-ene-2,6-diol
CID 141202208
7,7,7-trifluoro-2-methylhept-2-en-4-ol
CID 115817040
4-methyl-1-(1-methylcyclopropyl)pent-3-en-2-ol
CID 130941634
1-germyl-3-methylbut-2-en-1-ol
CID 175741462
3,7-dimethylocta-3,6-diene-1,5-diol
CID 174979405
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
(4S,5E,8E)-6-methyldeca-1,5,8-trien-4-ol
CID 132557737
1-(2,2-difluorooxetan-3-yl)-4-methylpent-3-en-2-ol
CID 150241451
2-(2-methylprop-1-enyl)propane-1,3-diol
CID 15717631
4-methyl-1-(2-methylphenyl)pent-3-en-2-ol
CID 115817148

Frequently Asked Questions

What is the IUPAC name of (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol?
The IUPAC name of (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol (CID 100981311) is (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol.
What is the SMILES notation for (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol?
The canonical SMILES for (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol is CC(C)=CC(O)C/C=C/P.
What is the InChIKey of (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol?
The InChIKey is WUCJTHFZTUQJJH-HWKANZROSA-N. The full InChI is InChI=1S/C8H15OP/c1-7(2)6-8(9)4-3-5-10/h3,5-6,8-9H,4,10H2,1-2H3/b5-3+.
What are the key properties of (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol?
(1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol has a molecular weight of 158.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-6-methyl-1-phosphanylhepta-1,5-dien-4-ol is sourced from PubChem (CID 100981311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).