(E)-7-methyltetradec-7-en-1,13-diyn-4-ol

C15H22O — CID 11218247

IUPAC(E)-7-methyltetradec-7-en-1,13-diyn-4-ol
SMILESC#CCCCC/C=C(\C)CCC(O)CC#C
InChIInChI=1S/C15H22O/c1-4-6-7-8-9-11-14(3)12-13-15(16)10-5-2/h1-2,11,15-16H,6-10,12-13H2,3H3/b14-11+
InChIKeyKSDQWYAZWXMOAH-SDNWHVSQSA-N
MW218.34 g/mol
LogP3.29
Rot. Bonds8

About (E)-7-methyltetradec-7-en-1,13-diyn-4-ol

(E)-7-methyltetradec-7-en-1,13-diyn-4-ol (PubChem CID 11218247) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is (E)-7-methyltetradec-7-en-1,13-diyn-4-ol.

Molecular Properties

Compound Name(E)-7-methyltetradec-7-en-1,13-diyn-4-ol
PubChem CID11218247
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name(E)-7-methyltetradec-7-en-1,13-diyn-4-ol
SMILESC#CCCCC/C=C(\C)CCC(O)CC#C
InChIInChI=1S/C15H22O/c1-4-6-7-8-9-11-14(3)12-13-15(16)10-5-2/h1-2,11,15-16H,6-10,12-13H2,3H3/b14-11+
InChIKeyKSDQWYAZWXMOAH-SDNWHVSQSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 54406454
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CID 11457729
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410
4-hydroxyhept-6-ynoic acid
CID 55299360
hept-6-yne-1,4-diol
CID 106677963
non-8-yne-3,6-diol
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6,10-dimethylundec-9-en-1-yne
CID 175139097
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
4-methyl-N-(2-methylpropyl)oct-3-en-7-yn-1-amine
CID 79607908
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
18-methylicos-17-enenitrile
CID 54078352

Frequently Asked Questions

What is the IUPAC name of (E)-7-methyltetradec-7-en-1,13-diyn-4-ol?
The IUPAC name of (E)-7-methyltetradec-7-en-1,13-diyn-4-ol (CID 11218247) is (E)-7-methyltetradec-7-en-1,13-diyn-4-ol.
What is the SMILES notation for (E)-7-methyltetradec-7-en-1,13-diyn-4-ol?
The canonical SMILES for (E)-7-methyltetradec-7-en-1,13-diyn-4-ol is C#CCCCC/C=C(\C)CCC(O)CC#C.
What is the InChIKey of (E)-7-methyltetradec-7-en-1,13-diyn-4-ol?
The InChIKey is KSDQWYAZWXMOAH-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H22O/c1-4-6-7-8-9-11-14(3)12-13-15(16)10-5-2/h1-2,11,15-16H,6-10,12-13H2,3H3/b14-11+.
What are the key properties of (E)-7-methyltetradec-7-en-1,13-diyn-4-ol?
(E)-7-methyltetradec-7-en-1,13-diyn-4-ol has a molecular weight of 218.34 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7-methyltetradec-7-en-1,13-diyn-4-ol is sourced from PubChem (CID 11218247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).