1,1-dibutoxycyclopentane

C13H26O2 — CID 18792031

IUPAC1,1-dibutoxycyclopentane
SMILESCCCCOC1(OCCCC)CCCC1
InChIInChI=1S/C13H26O2/c1-3-5-11-14-13(9-7-8-10-13)15-12-6-4-2/h3-12H2,1-2H3
InChIKeyZIPJNBDDQVHKBL-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds8

About 1,1-dibutoxycyclopentane

1,1-dibutoxycyclopentane (PubChem CID 18792031) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1,1-dibutoxycyclopentane.

Molecular Properties

Compound Name1,1-dibutoxycyclopentane
PubChem CID18792031
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1,1-dibutoxycyclopentane
SMILESCCCCOC1(OCCCC)CCCC1
InChIInChI=1S/C13H26O2/c1-3-5-11-14-13(9-7-8-10-13)15-12-6-4-2/h3-12H2,1-2H3
InChIKeyZIPJNBDDQVHKBL-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-dibutoxycyclooctane
CID 18791994
1,1-dipropoxycyclodecane
CID 89439642
1,1-bis(hept-3-enoxy)cyclohexane
CID 69187054
1,1-dipropoxycyclononane;trimethylphosphane;hydroiodide
CID 175350547
1,1-bis(3-chloropropoxy)cyclohexane
CID 139677347
1-heptoxy-1-(iodomethyl)cycloheptane
CID 114773223
1,1-bis(3,3-dimethylbutoxy)cyclopentane
CID 155455157
1-heptoxycycloheptan-1-ol
CID 175442996
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
1-butoxy-2-ethoxy-2-methoxycyclohexan-1-ol
CID 154491152
N-[(1-pentoxycyclopentyl)methyl]propan-1-amine
CID 62110733
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334

Frequently Asked Questions

What is the IUPAC name of 1,1-dibutoxycyclopentane?
The IUPAC name of 1,1-dibutoxycyclopentane (CID 18792031) is 1,1-dibutoxycyclopentane.
What is the SMILES notation for 1,1-dibutoxycyclopentane?
The canonical SMILES for 1,1-dibutoxycyclopentane is CCCCOC1(OCCCC)CCCC1.
What is the InChIKey of 1,1-dibutoxycyclopentane?
The InChIKey is ZIPJNBDDQVHKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-5-11-14-13(9-7-8-10-13)15-12-6-4-2/h3-12H2,1-2H3.
What are the key properties of 1,1-dibutoxycyclopentane?
1,1-dibutoxycyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutoxycyclopentane is sourced from PubChem (CID 18792031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).