1,2-dibutoxycyclohexane

C14H28O2 — CID 24962665

IUPAC1,2-dibutoxycyclohexane
SMILESCCCCOC1CCCCC1OCCCC
InChIInChI=1S/C14H28O2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyRVDHOQRRZOZURV-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.93
Rot. Bonds8

About 1,2-dibutoxycyclohexane

1,2-dibutoxycyclohexane (PubChem CID 24962665) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 1,2-dibutoxycyclohexane.

Molecular Properties

Compound Name1,2-dibutoxycyclohexane
PubChem CID24962665
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name1,2-dibutoxycyclohexane
SMILESCCCCOC1CCCCC1OCCCC
InChIInChI=1S/C14H28O2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h13-14H,3-12H2,1-2H3
InChIKeyRVDHOQRRZOZURV-UHFFFAOYSA-N
XLogP3.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.93
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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Related Compounds

2-butoxycyclohexan-1-amine
CID 43267617
2-octoxycyclohexan-1-amine
CID 43127889
2-heptoxycyclohexan-1-ol
CID 18953012
2-hexoxycyclododecan-1-amine
CID 43127854
butoxycyclobutane
CID 54057236
(1R,2R,3R)-1,2-dibutoxy-3-(butoxymethyl)cyclohexane
CID 71267912
2-butoxycyclobutan-1-ol
CID 123438323
1-iodo-2-pentoxycyclopentane
CID 114773690
(2-hexoxycyclopentyl) formate
CID 57110309
pentadecoxycyclopentane
CID 155570194
octoxycyclopentane
CID 14691467
butoxycyclopentane;ethane-1,2-diol
CID 174670164

Frequently Asked Questions

What is the IUPAC name of 1,2-dibutoxycyclohexane?
The IUPAC name of 1,2-dibutoxycyclohexane (CID 24962665) is 1,2-dibutoxycyclohexane.
What is the SMILES notation for 1,2-dibutoxycyclohexane?
The canonical SMILES for 1,2-dibutoxycyclohexane is CCCCOC1CCCCC1OCCCC.
What is the InChIKey of 1,2-dibutoxycyclohexane?
The InChIKey is RVDHOQRRZOZURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-11-15-13-9-7-8-10-14(13)16-12-6-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of 1,2-dibutoxycyclohexane?
1,2-dibutoxycyclohexane has a molecular weight of 228.38 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibutoxycyclohexane is sourced from PubChem (CID 24962665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).