1,3-dibutoxy-5-cyclopropylbenzene

C17H26O2 — CID 118425724

IUPAC1,3-dibutoxy-5-cyclopropylbenzene
SMILESCCCCOc1cc(OCCCC)cc(C2CC2)c1
InChIInChI=1S/C17H26O2/c1-3-5-9-18-16-11-15(14-7-8-14)12-17(13-16)19-10-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyBRRPAMHYUZWMKA-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.92
Rot. Bonds9

About 1,3-dibutoxy-5-cyclopropylbenzene

1,3-dibutoxy-5-cyclopropylbenzene (PubChem CID 118425724) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1,3-dibutoxy-5-cyclopropylbenzene.

Molecular Properties

Compound Name1,3-dibutoxy-5-cyclopropylbenzene
PubChem CID118425724
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1,3-dibutoxy-5-cyclopropylbenzene
SMILESCCCCOc1cc(OCCCC)cc(C2CC2)c1
InChIInChI=1S/C17H26O2/c1-3-5-9-18-16-11-15(14-7-8-14)12-17(13-16)19-10-6-4-2/h11-14H,3-10H2,1-2H3
InChIKeyBRRPAMHYUZWMKA-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.92
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

1,3,5-tributoxybenzene
CID 15933337
3-[3-(3-hydroxypropoxy)-5-(4-propylcyclohexyl)phenoxy]propan-1-ol
CID 90245291
1-(4-pentylcyclohexyl)-4-[12-[4-(4-pentylcyclohexyl)phenoxy]dodecoxy]benzene
CID 59583298
4-(4-butoxyphenyl)cyclohexane-1-carboxylic acid
CID 56638920
1,4-bis[10-[4-(4-pentylcyclohexyl)phenoxy]decoxy]benzene
CID 102012139
1-dodecoxy-4-(4-pentylcyclohexyl)benzene
CID 59711339
1-(4-hexylcyclohexyl)-4-[3-(4-hexylcyclohexyl)propoxy]benzene
CID 19738763
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-butoxy-4-(4-prop-2-enylcyclohexyl)benzene
CID 20676986
2-heptoxy-6-(4-propylcyclohexyl)naphthalene
CID 20500463
2-(4-pentylcyclohexyl)-6-propoxynaphthalene
CID 20500089
2-[3-(2-methoxyethoxy)-5-(4-pentylcyclohexyl)phenoxy]ethyl 2-(hydroxymethyl)prop-2-enoate
CID 145275825

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutoxy-5-cyclopropylbenzene?
The IUPAC name of 1,3-dibutoxy-5-cyclopropylbenzene (CID 118425724) is 1,3-dibutoxy-5-cyclopropylbenzene.
What is the SMILES notation for 1,3-dibutoxy-5-cyclopropylbenzene?
The canonical SMILES for 1,3-dibutoxy-5-cyclopropylbenzene is CCCCOc1cc(OCCCC)cc(C2CC2)c1.
What is the InChIKey of 1,3-dibutoxy-5-cyclopropylbenzene?
The InChIKey is BRRPAMHYUZWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-3-5-9-18-16-11-15(14-7-8-14)12-17(13-16)19-10-6-4-2/h11-14H,3-10H2,1-2H3.
What are the key properties of 1,3-dibutoxy-5-cyclopropylbenzene?
1,3-dibutoxy-5-cyclopropylbenzene has a molecular weight of 262.39 g/mol, XLogP of 4.92, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutoxy-5-cyclopropylbenzene is sourced from PubChem (CID 118425724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).