ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol

C15H28O3 — CID 143931271

IUPACethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.CC.CC#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H16O3.2C2H6/c1-2-3-10(12)4-6-11(7-5-10)13-8-9-14-11;2*1-2/h12H,4-9H2,1H3;2*1-2H3
InChIKeyBWWJWBSDPPIKSJ-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.11
Rot. Bonds

About ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol

ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol (PubChem CID 143931271) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol.

Molecular Properties

Compound Nameethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
PubChem CID143931271
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Nameethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
SMILESCC.CC.CC#CC1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C11H16O3.2C2H6/c1-2-3-10(12)4-6-11(7-5-10)13-8-9-14-11;2*1-2/h12H,4-9H2,1H3;2*1-2H3
InChIKeyBWWJWBSDPPIKSJ-UHFFFAOYSA-N
XLogP3.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The IUPAC name of ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol (CID 143931271) is ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol.
What is the SMILES notation for ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The canonical SMILES for ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol is CC.CC.CC#CC1(O)CCC2(CC1)OCCO2.
What is the InChIKey of ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol?
The InChIKey is BWWJWBSDPPIKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3.2C2H6/c1-2-3-10(12)4-6-11(7-5-10)13-8-9-14-11;2*1-2/h12H,4-9H2,1H3;2*1-2H3.
What are the key properties of ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol?
ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol has a molecular weight of 256.39 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol is sourced from PubChem (CID 143931271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).