8-pent-3-ynylspiro[3.4]octan-8-ol

C13H20O — CID 127011833

IUPAC8-pent-3-ynylspiro[3.4]octan-8-ol
SMILESCC#CCCC1(O)CCCC12CCC2
InChIInChI=1S/C13H20O/c1-2-3-4-10-13(14)11-6-9-12(13)7-5-8-12/h14H,4-11H2,1H3
InChIKeyWPJUJALMGHVNNK-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.88
Rot. Bonds2

About 8-pent-3-ynylspiro[3.4]octan-8-ol

8-pent-3-ynylspiro[3.4]octan-8-ol (PubChem CID 127011833) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 8-pent-3-ynylspiro[3.4]octan-8-ol.

Molecular Properties

Compound Name8-pent-3-ynylspiro[3.4]octan-8-ol
PubChem CID127011833
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name8-pent-3-ynylspiro[3.4]octan-8-ol
SMILESCC#CCCC1(O)CCCC12CCC2
InChIInChI=1S/C13H20O/c1-2-3-4-10-13(14)11-6-9-12(13)7-5-8-12/h14H,4-11H2,1H3
InChIKeyWPJUJALMGHVNNK-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 8-pent-3-ynylspiro[3.4]octan-8-ol?
The IUPAC name of 8-pent-3-ynylspiro[3.4]octan-8-ol (CID 127011833) is 8-pent-3-ynylspiro[3.4]octan-8-ol.
What is the SMILES notation for 8-pent-3-ynylspiro[3.4]octan-8-ol?
The canonical SMILES for 8-pent-3-ynylspiro[3.4]octan-8-ol is CC#CCCC1(O)CCCC12CCC2.
What is the InChIKey of 8-pent-3-ynylspiro[3.4]octan-8-ol?
The InChIKey is WPJUJALMGHVNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-2-3-4-10-13(14)11-6-9-12(13)7-5-8-12/h14H,4-11H2,1H3.
What are the key properties of 8-pent-3-ynylspiro[3.4]octan-8-ol?
8-pent-3-ynylspiro[3.4]octan-8-ol has a molecular weight of 192.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pent-3-ynylspiro[3.4]octan-8-ol is sourced from PubChem (CID 127011833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).