6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane

C21H34 — CID 123755570

IUPAC6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane
SMILESC=CC(C)CC1CC1CC(=C)C1CC12CCC2(C)C(C)C
InChIInChI=1S/C21H34/c1-7-15(4)10-17-12-18(17)11-16(5)19-13-21(19)9-8-20(21,6)14(2)3/h7,14-15,17-19H,1,5,8-13H2,2-4,6H3
InChIKeyBHEFXRJNJUCBPJ-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.24
Rot. Bonds7

About 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane

6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane (PubChem CID 123755570) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane.

Molecular Properties

Compound Name6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane
PubChem CID123755570
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane
SMILESC=CC(C)CC1CC1CC(=C)C1CC12CCC2(C)C(C)C
InChIInChI=1S/C21H34/c1-7-15(4)10-17-12-18(17)11-16(5)19-13-21(19)9-8-20(21,6)14(2)3/h7,14-15,17-19H,1,5,8-13H2,2-4,6H3
InChIKeyBHEFXRJNJUCBPJ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2,5,5,6,6-Octamethyl-7,8-bis(3-methylbuta-1,2-dienylidene)dispiro[2.0.24.23]octane
CID 12706186
7-Ethenyldispiro[2.0.24.23]octane
CID 14027197
trans-(1R,2R)-1-[[(1R,2S)-1,2-dimethyl-2-(3-methylbut-3-enyl)cyclopropyl]methyl]-1,2-dimethyl-2-[[(1R)-1,2,2-trimethylcyclopropyl]methyl]cyclopropane
CID 134865182
1-But-2-en-2-yl-1-(1-cyclopropylidene-3-methylhepta-3,6-dienyl)-2-methylcyclopropane
CID 57161573
1,3-Bis[(2-ethenylcyclopropyl)methyl]cyclobutane
CID 59422098
3-[1-Ethyl-2-(2-methylprop-2-enyl)cyclopropyl]-3-propan-2-ylcyclopropene
CID 90685610
2-Butan-2-yl-1-(2,3-dimethylhexan-2-yl)-3-methylidenecyclobutane
CID 90686929
3-(7,9-Diethyl-3-methylundeca-2,4,7-trien-6-yl)-4-methylbicyclo[1.1.0]but-1-ene
CID 90689947
5-Ethyl-2-[7-(1-ethyl-2-methylcyclopropyl)hepta-2,3-dien-2-yl]spiro[2.2]pentane
CID 90692248
1-Ethyl-2-prop-1-en-2-yl-3-(3,3,5-trimethyl-2-propylnonyl)cyclopropane
CID 90737555
4-Ethenyl-2-ethyl-2-methylbicyclo[1.1.0]butane
CID 90739297
4-[3,4-Dimethyl-3-(1-methylcyclopropyl)pentyl]-8-[[2-ethyl-1-(6-methyloct-7-en-2-yl)cyclobutyl]methyl]-1,3,9-trimethyltricyclo[7.1.0.02,4]decane
CID 90758965

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane?
The IUPAC name of 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane (CID 123755570) is 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane.
What is the SMILES notation for 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane?
The canonical SMILES for 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane is C=CC(C)CC1CC1CC(=C)C1CC12CCC2(C)C(C)C.
What is the InChIKey of 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane?
The InChIKey is BHEFXRJNJUCBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-7-15(4)10-17-12-18(17)11-16(5)19-13-21(19)9-8-20(21,6)14(2)3/h7,14-15,17-19H,1,5,8-13H2,2-4,6H3.
What are the key properties of 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane?
6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane has a molecular weight of 286.50 g/mol, XLogP of 6.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-[2-(2-methylbut-3-enyl)cyclopropyl]prop-1-en-2-yl]-6-propan-2-ylspiro[2.3]hexane is sourced from PubChem (CID 123755570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).