(3-hepta-1,3,5-triynyloxiran-2-yl)methanol

C10H8O2 — CID 10261368

IUPAC(3-hepta-1,3,5-triynyloxiran-2-yl)methanol
SMILESCC#CC#CC#CC1OC1CO
InChIInChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3
InChIKeyDLTRTPLJAAMGPB-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.22
Rot. Bonds1

About (3-hepta-1,3,5-triynyloxiran-2-yl)methanol

(3-hepta-1,3,5-triynyloxiran-2-yl)methanol (PubChem CID 10261368) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is (3-hepta-1,3,5-triynyloxiran-2-yl)methanol.

Molecular Properties

Compound Name(3-hepta-1,3,5-triynyloxiran-2-yl)methanol
PubChem CID10261368
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name(3-hepta-1,3,5-triynyloxiran-2-yl)methanol
SMILESCC#CC#CC#CC1OC1CO
InChIInChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3
InChIKeyDLTRTPLJAAMGPB-UHFFFAOYSA-N
XLogP-0.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hepta-1,3,5-triynyloxiran-2-yl)methanol?
The IUPAC name of (3-hepta-1,3,5-triynyloxiran-2-yl)methanol (CID 10261368) is (3-hepta-1,3,5-triynyloxiran-2-yl)methanol.
What is the SMILES notation for (3-hepta-1,3,5-triynyloxiran-2-yl)methanol?
The canonical SMILES for (3-hepta-1,3,5-triynyloxiran-2-yl)methanol is CC#CC#CC#CC1OC1CO.
What is the InChIKey of (3-hepta-1,3,5-triynyloxiran-2-yl)methanol?
The InChIKey is DLTRTPLJAAMGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-2-3-4-5-6-7-9-10(8-11)12-9/h9-11H,8H2,1H3.
What are the key properties of (3-hepta-1,3,5-triynyloxiran-2-yl)methanol?
(3-hepta-1,3,5-triynyloxiran-2-yl)methanol has a molecular weight of 160.17 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hepta-1,3,5-triynyloxiran-2-yl)methanol is sourced from PubChem (CID 10261368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).