1,1-bis(butoxymethyl)cyclopentane

C15H30O2 — CID 91010285

IUPAC1,1-bis(butoxymethyl)cyclopentane
SMILESCCCCOCC1(COCCCC)CCCC1
InChIInChI=1S/C15H30O2/c1-3-5-11-16-13-15(9-7-8-10-15)14-17-12-6-4-2/h3-14H2,1-2H3
InChIKeyGYHUAUIBACMDAH-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds10

About 1,1-bis(butoxymethyl)cyclopentane

1,1-bis(butoxymethyl)cyclopentane (PubChem CID 91010285) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 1,1-bis(butoxymethyl)cyclopentane.

Molecular Properties

Compound Name1,1-bis(butoxymethyl)cyclopentane
PubChem CID91010285
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name1,1-bis(butoxymethyl)cyclopentane
SMILESCCCCOCC1(COCCCC)CCCC1
InChIInChI=1S/C15H30O2/c1-3-5-11-16-13-15(9-7-8-10-15)14-17-12-6-4-2/h3-14H2,1-2H3
InChIKeyGYHUAUIBACMDAH-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(butoxymethyl)cyclopentane?
The IUPAC name of 1,1-bis(butoxymethyl)cyclopentane (CID 91010285) is 1,1-bis(butoxymethyl)cyclopentane.
What is the SMILES notation for 1,1-bis(butoxymethyl)cyclopentane?
The canonical SMILES for 1,1-bis(butoxymethyl)cyclopentane is CCCCOCC1(COCCCC)CCCC1.
What is the InChIKey of 1,1-bis(butoxymethyl)cyclopentane?
The InChIKey is GYHUAUIBACMDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-3-5-11-16-13-15(9-7-8-10-15)14-17-12-6-4-2/h3-14H2,1-2H3.
What are the key properties of 1,1-bis(butoxymethyl)cyclopentane?
1,1-bis(butoxymethyl)cyclopentane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(butoxymethyl)cyclopentane is sourced from PubChem (CID 91010285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).