2-[(Z)-but-1-enyl]spiro[3.5]nonane

C13H22 — CID 163914586

IUPAC2-[(Z)-but-1-enyl]spiro[3.5]nonane
SMILESCC/C=C\C1CC2(CCCCC2)C1
InChIInChI=1S/C13H22/c1-2-3-7-12-10-13(11-12)8-5-4-6-9-13/h3,7,12H,2,4-6,8-11H2,1H3/b7-3-
InChIKeyQVCRLQOIWBQBJD-CLTKARDFSA-N
MW178.32 g/mol
LogP4.31
Rot. Bonds2

About 2-[(Z)-but-1-enyl]spiro[3.5]nonane

2-[(Z)-but-1-enyl]spiro[3.5]nonane (PubChem CID 163914586) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]spiro[3.5]nonane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]spiro[3.5]nonane
PubChem CID163914586
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2-[(Z)-but-1-enyl]spiro[3.5]nonane
SMILESCC/C=C\C1CC2(CCCCC2)C1
InChIInChI=1S/C13H22/c1-2-3-7-12-10-13(11-12)8-5-4-6-9-13/h3,7,12H,2,4-6,8-11H2,1H3/b7-3-
InChIKeyQVCRLQOIWBQBJD-CLTKARDFSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]spiro[3.5]nonane?
The IUPAC name of 2-[(Z)-but-1-enyl]spiro[3.5]nonane (CID 163914586) is 2-[(Z)-but-1-enyl]spiro[3.5]nonane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]spiro[3.5]nonane?
The canonical SMILES for 2-[(Z)-but-1-enyl]spiro[3.5]nonane is CC/C=C\C1CC2(CCCCC2)C1.
What is the InChIKey of 2-[(Z)-but-1-enyl]spiro[3.5]nonane?
The InChIKey is QVCRLQOIWBQBJD-CLTKARDFSA-N. The full InChI is InChI=1S/C13H22/c1-2-3-7-12-10-13(11-12)8-5-4-6-9-13/h3,7,12H,2,4-6,8-11H2,1H3/b7-3-.
What are the key properties of 2-[(Z)-but-1-enyl]spiro[3.5]nonane?
2-[(Z)-but-1-enyl]spiro[3.5]nonane has a molecular weight of 178.32 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]spiro[3.5]nonane is sourced from PubChem (CID 163914586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).