5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol

C16H28O — CID 123438639

IUPAC5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol
SMILESC#CC(CC)C(C=CC)C(CC)CC(O)CC
InChIInChI=1S/C16H28O/c1-6-11-16(13(7-2)8-3)14(9-4)12-15(17)10-5/h2,6,11,13-17H,8-10,12H2,1,3-5H3
InChIKeyOLYBAVDFPLEUER-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.03
Rot. Bonds8

About 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol

5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol (PubChem CID 123438639) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol.

Molecular Properties

Compound Name5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol
PubChem CID123438639
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol
SMILESC#CC(CC)C(C=CC)C(CC)CC(O)CC
InChIInChI=1S/C16H28O/c1-6-11-16(13(7-2)8-3)14(9-4)12-15(17)10-5/h2,6,11,13-17H,8-10,12H2,1,3-5H3
InChIKeyOLYBAVDFPLEUER-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-oct-6-ene-3,5-diol
CID 91195913
(3R,5R)-heptane-3,5-diol
CID 12641368
4-ethynylhept-5-en-2-ol
CID 71389740
3-ethyl-4-methylpent-1-yne
CID 15093812
(E)-hex-4-en-3-ol
CID 5366234
(E,3R,4R)-4-methylhept-5-en-1-yn-3-ol
CID 11051643
pentan-3-ol
CID 11428
(3S,5R,8R,10S)-dodecane-3,5,8,10-tetrol
CID 59068921
(Z,3S,4S)-hept-5-ene-3,4-diol
CID 134854667
2-pent-1-yn-3-ylhexan-1-ol
CID 123964878
non-2-ene-4,6-diol
CID 91115138
(4R)-5-ethylhept-1-yn-4-ol
CID 130123346

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol?
The IUPAC name of 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol (CID 123438639) is 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol.
What is the SMILES notation for 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol?
The canonical SMILES for 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol is C#CC(CC)C(C=CC)C(CC)CC(O)CC.
What is the InChIKey of 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol?
The InChIKey is OLYBAVDFPLEUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-6-11-16(13(7-2)8-3)14(9-4)12-15(17)10-5/h2,6,11,13-17H,8-10,12H2,1,3-5H3.
What are the key properties of 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol?
5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol has a molecular weight of 236.40 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-pent-1-yn-3-ylnon-7-en-3-ol is sourced from PubChem (CID 123438639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).