7-ethylpentadec-8-yn-6-ol

C17H32O — CID 15190948

IUPAC7-ethylpentadec-8-yn-6-ol
SMILESCCCCCCC#CC(CC)C(O)CCCCC
InChIInChI=1S/C17H32O/c1-4-7-9-10-11-13-14-16(6-3)17(18)15-12-8-5-2/h16-18H,4-12,15H2,1-3H3
InChIKeyWUZFTQDVBWFBEH-UHFFFAOYSA-N
MW252.44 g/mol
LogP4.93
Rot. Bonds10

About 7-ethylpentadec-8-yn-6-ol

7-ethylpentadec-8-yn-6-ol (PubChem CID 15190948) has the molecular formula C17H32O and a molecular weight of 252.44 g/mol. Its IUPAC name is 7-ethylpentadec-8-yn-6-ol.

Molecular Properties

Compound Name7-ethylpentadec-8-yn-6-ol
PubChem CID15190948
Molecular FormulaC17H32O
Molecular Weight252.44 g/mol
Exact Mass252.25
IUPAC Name7-ethylpentadec-8-yn-6-ol
SMILESCCCCCCC#CC(CC)C(O)CCCCC
InChIInChI=1S/C17H32O/c1-4-7-9-10-11-13-14-16(6-3)17(18)15-12-8-5-2/h16-18H,4-12,15H2,1-3H3
InChIKeyWUZFTQDVBWFBEH-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.44
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Octyldodecanol
CID 21414
2,6,8-Trimethyl-4-nonanol
CID 61056
2-Hexyl-1-decanol
CID 95337
4-Ethyl-3-hydroxy-1-octyne
CID 93012
Dihydrophytol
CID 102459
7-Ethyl-2-methyl-4-undecanol
CID 97948
3-Octanol, 6-ethyl-
CID 140601
2-Methyloctan-3-ol
CID 98464
3,9-Diethyl-6-tridecanol
CID 225882
2-Hexyldodecanol
CID 86112
Decyltetradecanol
CID 93875
Octyldecanol
CID 3084890

Frequently Asked Questions

What is the IUPAC name of 7-ethylpentadec-8-yn-6-ol?
The IUPAC name of 7-ethylpentadec-8-yn-6-ol (CID 15190948) is 7-ethylpentadec-8-yn-6-ol.
What is the SMILES notation for 7-ethylpentadec-8-yn-6-ol?
The canonical SMILES for 7-ethylpentadec-8-yn-6-ol is CCCCCCC#CC(CC)C(O)CCCCC.
What is the InChIKey of 7-ethylpentadec-8-yn-6-ol?
The InChIKey is WUZFTQDVBWFBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O/c1-4-7-9-10-11-13-14-16(6-3)17(18)15-12-8-5-2/h16-18H,4-12,15H2,1-3H3.
What are the key properties of 7-ethylpentadec-8-yn-6-ol?
7-ethylpentadec-8-yn-6-ol has a molecular weight of 252.44 g/mol, XLogP of 4.93, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethylpentadec-8-yn-6-ol is sourced from PubChem (CID 15190948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).