(4R)-5-ethylhept-1-yn-4-ol

C9H16O — CID 130123346

IUPAC(4R)-5-ethylhept-1-yn-4-ol
SMILESC#CC[C@@H](O)C(CC)CC
InChIInChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h1,8-10H,5-7H2,2-3H3/t9-/m1/s1
InChIKeyHGITYGLCXJXEAC-SECBINFHSA-N
MW140.23 g/mol
LogP1.81
Rot. Bonds4

About (4R)-5-ethylhept-1-yn-4-ol

(4R)-5-ethylhept-1-yn-4-ol (PubChem CID 130123346) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (4R)-5-ethylhept-1-yn-4-ol.

Molecular Properties

Compound Name(4R)-5-ethylhept-1-yn-4-ol
PubChem CID130123346
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(4R)-5-ethylhept-1-yn-4-ol
SMILESC#CC[C@@H](O)C(CC)CC
InChIInChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h1,8-10H,5-7H2,2-3H3/t9-/m1/s1
InChIKeyHGITYGLCXJXEAC-SECBINFHSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.81
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

(3S)-2-methylhex-5-yn-3-ol
CID 11789160
1,1-diethoxypent-4-yn-2-ol
CID 79495751
ethane;4-ethylhexan-3-ol
CID 142939598
3-ethylnon-8-yne-4,5-diol
CID 103459637
non-8-yne-3,6-diol
CID 141036935
5-amino-6-methylhept-1-yn-4-ol
CID 164658366
5-phenylhept-1-yn-4-ol
CID 115840091
6-methyl-5-phenyloct-1-yn-4-ol
CID 115839991
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-yn-3-ol
CID 103312677
5-ethylheptane-2,4-diol
CID 87867419
4-ethylhexane-1,3-diol
CID 57229845
5-ethyl-7-methyl-4-propyloct-1-yne
CID 123153903

Frequently Asked Questions

What is the IUPAC name of (4R)-5-ethylhept-1-yn-4-ol?
The IUPAC name of (4R)-5-ethylhept-1-yn-4-ol (CID 130123346) is (4R)-5-ethylhept-1-yn-4-ol.
What is the SMILES notation for (4R)-5-ethylhept-1-yn-4-ol?
The canonical SMILES for (4R)-5-ethylhept-1-yn-4-ol is C#CC[C@@H](O)C(CC)CC.
What is the InChIKey of (4R)-5-ethylhept-1-yn-4-ol?
The InChIKey is HGITYGLCXJXEAC-SECBINFHSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-9(10)8(5-2)6-3/h1,8-10H,5-7H2,2-3H3/t9-/m1/s1.
What are the key properties of (4R)-5-ethylhept-1-yn-4-ol?
(4R)-5-ethylhept-1-yn-4-ol has a molecular weight of 140.23 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-ethylhept-1-yn-4-ol is sourced from PubChem (CID 130123346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).