8-(3-chloropropyl)-5-oxaspiro[3.5]nonane

C11H19ClO — CID 79923660

IUPAC8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
SMILESClCCCC1CCOC2(CCC2)C1
InChIInChI=1S/C11H19ClO/c12-7-1-3-10-4-8-13-11(9-10)5-2-6-11/h10H,1-9H2
InChIKeyYLGVJHBZWUDVLD-UHFFFAOYSA-N
MW202.72 g/mol
LogP3.35
Rot. Bonds3

About 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane

8-(3-chloropropyl)-5-oxaspiro[3.5]nonane (PubChem CID 79923660) has the molecular formula C11H19ClO and a molecular weight of 202.72 g/mol. Its IUPAC name is 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane.

Molecular Properties

Compound Name8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
PubChem CID79923660
Molecular FormulaC11H19ClO
Molecular Weight202.72 g/mol
Exact Mass202.11
IUPAC Name8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
SMILESClCCCC1CCOC2(CCC2)C1
InChIInChI=1S/C11H19ClO/c12-7-1-3-10-4-8-13-11(9-10)5-2-6-11/h10H,1-9H2
InChIKeyYLGVJHBZWUDVLD-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.72
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9-(3-bromopropyl)-6-oxaspiro[4.5]decane
CID 79923550
2-methyl-N-[3-(1-oxaspiro[5.5]undecan-4-yl)propyl]propan-1-amine
CID 79923870
2-(5-oxaspiro[3.5]nonan-8-yl)acetaldehyde
CID 79920668
8-(3-bromo-3-cyclopropylpropyl)-5-oxaspiro[3.5]nonane
CID 79923297
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
4-chloro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 79921451
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-ol
CID 79922491

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane?
The IUPAC name of 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane (CID 79923660) is 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane.
What is the SMILES notation for 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane?
The canonical SMILES for 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane is ClCCCC1CCOC2(CCC2)C1.
What is the InChIKey of 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane?
The InChIKey is YLGVJHBZWUDVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClO/c12-7-1-3-10-4-8-13-11(9-10)5-2-6-11/h10H,1-9H2.
What are the key properties of 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane?
8-(3-chloropropyl)-5-oxaspiro[3.5]nonane has a molecular weight of 202.72 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloropropyl)-5-oxaspiro[3.5]nonane is sourced from PubChem (CID 79923660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).