9-(3-bromopropyl)-6-oxaspiro[4.5]decane

C12H21BrO — CID 79923550

IUPAC9-(3-bromopropyl)-6-oxaspiro[4.5]decane
SMILESBrCCCC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H21BrO/c13-8-3-4-11-5-9-14-12(10-11)6-1-2-7-12/h11H,1-10H2
InChIKeyKYHAABBEBZTJJY-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.90
Rot. Bonds3

About 9-(3-bromopropyl)-6-oxaspiro[4.5]decane

9-(3-bromopropyl)-6-oxaspiro[4.5]decane (PubChem CID 79923550) has the molecular formula C12H21BrO and a molecular weight of 261.20 g/mol. Its IUPAC name is 9-(3-bromopropyl)-6-oxaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-bromopropyl)-6-oxaspiro[4.5]decane
PubChem CID79923550
Molecular FormulaC12H21BrO
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name9-(3-bromopropyl)-6-oxaspiro[4.5]decane
SMILESBrCCCC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H21BrO/c13-8-3-4-11-5-9-14-12(10-11)6-1-2-7-12/h11H,1-10H2
InChIKeyKYHAABBEBZTJJY-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.90
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

8-(3-chloropropyl)-5-oxaspiro[3.5]nonane
CID 79923660
2-(6-oxaspiro[4.5]decan-9-yl)acetaldehyde
CID 79920475
4-(6-oxaspiro[4.5]decan-9-yl)butan-2-one
CID 79923955
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
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
1-(1-oxaspiro[5.5]undecan-4-yl)propan-2-one
CID 79894719
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
CID 79922733
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromopropyl)-6-oxaspiro[4.5]decane?
The IUPAC name of 9-(3-bromopropyl)-6-oxaspiro[4.5]decane (CID 79923550) is 9-(3-bromopropyl)-6-oxaspiro[4.5]decane.
What is the SMILES notation for 9-(3-bromopropyl)-6-oxaspiro[4.5]decane?
The canonical SMILES for 9-(3-bromopropyl)-6-oxaspiro[4.5]decane is BrCCCC1CCOC2(CCCC2)C1.
What is the InChIKey of 9-(3-bromopropyl)-6-oxaspiro[4.5]decane?
The InChIKey is KYHAABBEBZTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrO/c13-8-3-4-11-5-9-14-12(10-11)6-1-2-7-12/h11H,1-10H2.
What are the key properties of 9-(3-bromopropyl)-6-oxaspiro[4.5]decane?
9-(3-bromopropyl)-6-oxaspiro[4.5]decane has a molecular weight of 261.20 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-bromopropyl)-6-oxaspiro[4.5]decane is sourced from PubChem (CID 79923550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).