(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol

C15H18O — CID 102383494

IUPAC(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol
SMILESCC(C)(C)C#CC(O)/C=C/c1ccccc1
InChIInChI=1S/C15H18O/c1-15(2,3)12-11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,1-3H3/b10-9+
InChIKeyCDWZZRDGYWYLMC-MDZDMXLPSA-N
MW214.31 g/mol
LogP3.11
Rot. Bonds2

About (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol

(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol (PubChem CID 102383494) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol.

Molecular Properties

Compound Name(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol
PubChem CID102383494
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol
SMILESCC(C)(C)C#CC(O)/C=C/c1ccccc1
InChIInChI=1S/C15H18O/c1-15(2,3)12-11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,1-3H3/b10-9+
InChIKeyCDWZZRDGYWYLMC-MDZDMXLPSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1E,3R)-6-methyl-1-phenylhepta-1,6-dien-4-yn-3-ol
CID 71614789
1-phenylpent-1-en-4-yn-3-ol
CID 570771
(E,3R)-6,6-diethoxy-1-phenylhex-1-en-4-yn-3-ol
CID 101388650
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
3-phenylprop-2-ene-1,1-diol
CID 54432533
(E,2S)-1,1,1-tribromo-4-phenylbut-3-en-2-ol
CID 129409004
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
trimethyl(2-phenylethenyl)phosphanium
CID 69015838
(1E,6E)-5-hydroxy-4,4-dimethyl-1,7-diphenylhepta-1,6-dien-3-one
CID 153310935
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
(1E,3S,4S)-4-ethyl-4-methyl-1-phenylhexa-1,5-dien-3-ol
CID 100923978
(E,3S)-3-hydroxy-5-phenylpent-4-enenitrile
CID 11052128

Frequently Asked Questions

What is the IUPAC name of (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol?
The IUPAC name of (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol (CID 102383494) is (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol.
What is the SMILES notation for (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol?
The canonical SMILES for (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol is CC(C)(C)C#CC(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol?
The InChIKey is CDWZZRDGYWYLMC-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H18O/c1-15(2,3)12-11-14(16)10-9-13-7-5-4-6-8-13/h4-10,14,16H,1-3H3/b10-9+.
What are the key properties of (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol?
(E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol has a molecular weight of 214.31 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6-dimethyl-1-phenylhept-1-en-4-yn-3-ol is sourced from PubChem (CID 102383494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).