ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene

C22H49BO — CID 143380218

IUPACethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene
SMILESC.C/B=C/C.C/C=C/CCOC1CCCCC1.C=CC.CC.CC
InChIInChI=1S/C11H20O.C3H7B.C3H6.2C2H6.CH4/c1-2-3-7-10-12-11-8-5-4-6-9-11;1-3-4-2;1-3-2;2*1-2;/h2-3,11H,4-10H2,1H3;3H,1-2H3;3H,1H2,2H3;2*1-2H3;1H4/b3-2+;;;;;
InChIKeyUGPHOAVHFVRTEB-YWURNZKTSA-N
MW340.45 g/mol
LogP7.74
Rot. Bonds4

About ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene

ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene (PubChem CID 143380218) has the molecular formula C22H49BO and a molecular weight of 340.45 g/mol. Its IUPAC name is ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene.

Molecular Properties

Compound Nameethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene
PubChem CID143380218
Molecular FormulaC22H49BO
Molecular Weight340.45 g/mol
Exact Mass340.39
IUPAC Nameethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene
SMILESC.C/B=C/C.C/C=C/CCOC1CCCCC1.C=CC.CC.CC
InChIInChI=1S/C11H20O.C3H7B.C3H6.2C2H6.CH4/c1-2-3-7-10-12-11-8-5-4-6-9-11;1-3-4-2;1-3-2;2*1-2;/h2-3,11H,4-10H2,1H3;3H,1-2H3;3H,1H2,2H3;2*1-2H3;1H4/b3-2+;;;;;
InChIKeyUGPHOAVHFVRTEB-YWURNZKTSA-N
XLogP7.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.45
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(3Z,5Z)-octa-3,5,7-trienoxy]cyclohexane
CID 89174398
1-but-3-enyl-4-[2-[4-[(Z)-pent-3-enoxy]cyclohexyl]ethyl]cyclohexane
CID 67864631
but-3-enoxycyclobutane
CID 130057115
propoxycyclooctane
CID 54078990
4,4-dibromobut-3-enoxycyclohexane
CID 22279681
8-cycloheptyloxyoctoxycycloheptane
CID 173292672
(2-pent-3-enoxycyclohexyl) 2-methylbut-3-enoate
CID 175047573
2-methoxyethoxycyclohexane
CID 20550469
ethane-1,2-diol;methoxycyclohexane;bis(prop-1-ene)
CID 67782468
[(E)-non-7-enyl]cyclohexane
CID 142802500
N-(2-cyclohexyloxyethyl)formamide
CID 64992190
3-methoxypropoxycyclooctane
CID 68608033

Frequently Asked Questions

What is the IUPAC name of ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene?
The IUPAC name of ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene (CID 143380218) is ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene.
What is the SMILES notation for ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene?
The canonical SMILES for ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene is C.C/B=C/C.C/C=C/CCOC1CCCCC1.C=CC.CC.CC.
What is the InChIKey of ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene?
The InChIKey is UGPHOAVHFVRTEB-YWURNZKTSA-N. The full InChI is InChI=1S/C11H20O.C3H7B.C3H6.2C2H6.CH4/c1-2-3-7-10-12-11-8-5-4-6-9-11;1-3-4-2;1-3-2;2*1-2;/h2-3,11H,4-10H2,1H3;3H,1-2H3;3H,1H2,2H3;2*1-2H3;1H4/b3-2+;;;;;.
What are the key properties of ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene?
ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene has a molecular weight of 340.45 g/mol, XLogP of 7.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethylidene(methyl)borane;methane;[(E)-pent-3-enoxy]cyclohexane;prop-1-ene is sourced from PubChem (CID 143380218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).