6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol

C12H20O2 — CID 90777929

IUPAC6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol
SMILESCCOCC(C)C(O)CC#CC1CC1
InChIInChI=1S/C12H20O2/c1-3-14-9-10(2)12(13)6-4-5-11-7-8-11/h10-13H,3,6-9H2,1-2H3
InChIKeyYYMIKBZLGDDQDH-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.82
Rot. Bonds5

About 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol

6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol (PubChem CID 90777929) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol.

Molecular Properties

Compound Name6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol
PubChem CID90777929
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol
SMILESCCOCC(C)C(O)CC#CC1CC1
InChIInChI=1S/C12H20O2/c1-3-14-9-10(2)12(13)6-4-5-11-7-8-11/h10-13H,3,6-9H2,1-2H3
InChIKeyYYMIKBZLGDDQDH-UHFFFAOYSA-N
XLogP1.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-5-cyclohexyl-2-hydroxypent-4-ynoate
CID 15506006
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1-(cyclopentylmethylamino)-3-ethoxypropan-2-ol
CID 63934617
1-(cyclopropylamino)-3-ethoxypropan-2-ol
CID 43166145
3-ethoxy-2-methylpropan-1-amine
CID 43175050
1-cyclopropyl-1-ethoxy-3-methoxypropan-2-ol
CID 116712870
1-ethoxy-4-methylhexane-2,5-diol
CID 79423603
1-ethoxypentan-2-ol
CID 21201051
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
1-(cycloheptylamino)-3-ethoxypropan-2-ol
CID 63933573
1-ethoxy-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 63931912
1-ethoxy-3-(thiolan-3-ylmethylamino)propan-2-ol
CID 107166431

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol?
The IUPAC name of 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol (CID 90777929) is 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol.
What is the SMILES notation for 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol?
The canonical SMILES for 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol is CCOCC(C)C(O)CC#CC1CC1.
What is the InChIKey of 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol?
The InChIKey is YYMIKBZLGDDQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-14-9-10(2)12(13)6-4-5-11-7-8-11/h10-13H,3,6-9H2,1-2H3.
What are the key properties of 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol?
6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol has a molecular weight of 196.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1-ethoxy-2-methylhex-5-yn-3-ol is sourced from PubChem (CID 90777929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).