7-butoxybicyclo[4.1.0]hept-1(7)-ene

C11H18O — CID 70519800

IUPAC7-butoxybicyclo[4.1.0]hept-1(7)-ene
SMILESCCCCOC1=C2CCCCC21
InChIInChI=1S/C11H18O/c1-2-3-8-12-11-9-6-4-5-7-10(9)11/h9H,2-8H2,1H3
InChIKeyNODUNNOMGBPJPH-UHFFFAOYSA-N
MW166.26 g/mol
LogP3.26
Rot. Bonds4

About 7-butoxybicyclo[4.1.0]hept-1(7)-ene

7-butoxybicyclo[4.1.0]hept-1(7)-ene (PubChem CID 70519800) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 7-butoxybicyclo[4.1.0]hept-1(7)-ene.

Molecular Properties

Compound Name7-butoxybicyclo[4.1.0]hept-1(7)-ene
PubChem CID70519800
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name7-butoxybicyclo[4.1.0]hept-1(7)-ene
SMILESCCCCOC1=C2CCCCC21
InChIInChI=1S/C11H18O/c1-2-3-8-12-11-9-6-4-5-7-10(9)11/h9H,2-8H2,1H3
InChIKeyNODUNNOMGBPJPH-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 567148
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CID 91701224
6-ethyl-5-(2-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247360
3-Methyl-3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran
CID 574519
4-methyl-3,4,5,6,7,8,9,10,11,12,13,14-dodecahydro-2H-cyclododeca[b]pyran
CID 90077825
(4aS,8S)-6-methoxy-8-methyl-2,3,4,4a,5,8-hexahydro-1H-benzo[7]annulene
CID 134837860
1-Ethoxy-1-methyl-4-propan-2-ylidenecyclohexane
CID 134995603
3-propoxy-2,4,5,6,7,7a-hexahydro-1H-indene
CID 271065
2H-Cyclodeca[b]pyran, 3,4,5,6,7,8,9,10,11,12-decahydro-4-methyl-
CID 596549
(2R,3S)-2,3-dimethyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
CID 10955173
(3R)-3-methyl-3,4,5,6,7,8,9,10,11,12-decahydro-2H-cyclodeca[b]pyran
CID 10965735
(2S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 13066784

Frequently Asked Questions

What is the IUPAC name of 7-butoxybicyclo[4.1.0]hept-1(7)-ene?
The IUPAC name of 7-butoxybicyclo[4.1.0]hept-1(7)-ene (CID 70519800) is 7-butoxybicyclo[4.1.0]hept-1(7)-ene.
What is the SMILES notation for 7-butoxybicyclo[4.1.0]hept-1(7)-ene?
The canonical SMILES for 7-butoxybicyclo[4.1.0]hept-1(7)-ene is CCCCOC1=C2CCCCC21.
What is the InChIKey of 7-butoxybicyclo[4.1.0]hept-1(7)-ene?
The InChIKey is NODUNNOMGBPJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-2-3-8-12-11-9-6-4-5-7-10(9)11/h9H,2-8H2,1H3.
What are the key properties of 7-butoxybicyclo[4.1.0]hept-1(7)-ene?
7-butoxybicyclo[4.1.0]hept-1(7)-ene has a molecular weight of 166.26 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxybicyclo[4.1.0]hept-1(7)-ene is sourced from PubChem (CID 70519800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).