7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane

C32H48 — CID 91225068

IUPAC7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane
SMILESC=C1CCC(CCC)C(C)CC2(C)C(CCCC3CC3C3CC34CC43CC34CC43CC3)C12
InChIInChI=1S/C32H48/c1-5-7-22-11-10-20(2)27-25(28(27,4)15-21(22)3)9-6-8-23-14-24(23)26-16-30(26)18-32(30)19-31(32)17-29(31)12-13-29/h21-27H,2,5-19H2,1,3-4H3
InChIKeySCMGUBGJUSJCLA-UHFFFAOYSA-N
MW432.74 g/mol
LogP8.81
Rot. Bonds7

About 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane

7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane (PubChem CID 91225068) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane.

Molecular Properties

Compound Name7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane
PubChem CID91225068
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane
SMILESC=C1CCC(CCC)C(C)CC2(C)C(CCCC3CC3C3CC34CC43CC34CC43CC3)C12
InChIInChI=1S/C32H48/c1-5-7-22-11-10-20(2)27-25(28(27,4)15-21(22)3)9-6-8-23-14-24(23)26-16-30(26)18-32(30)19-31(32)17-29(31)12-13-29/h21-27H,2,5-19H2,1,3-4H3
InChIKeySCMGUBGJUSJCLA-UHFFFAOYSA-N
XLogP8.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 58.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane with MolForge

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Related Compounds

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
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
2-(2,3-Diethylhexyl)-1-[11,11-dimethyl-3-(3-methyl-2-methylidenebutyl)-9-propylpentadecyl]-1-methylcyclopropane
CID 91117608
1-Ethyl-1,2-dimethyl-2-[3-methyl-5-[2-methyl-2-(3-methylbutan-2-yl)cyclopropyl]pent-1-en-2-yl]cyclopropane
CID 91383260
2-(2-Methyl-3-methylidenecyclopropyl)-1-(5-methylspiro[2.2]pentan-2-yl)spiro[2.2]pentane
CID 91396243
1-[3-Methyl-3-[2-(2-methylprop-2-enyl)cyclopropyl]butyl]-1-pentylcyclopropane
CID 91466618
1-[1-(2,3-Dimethylpentyl)-2-methylcyclopropyl]-1-ethyl-2-methylidenecyclopropane
CID 123138573
1-(3-Cyclopropylprop-1-en-2-yl)-1-methyl-2-(4-methylpent-4-en-2-yl)cyclopropane
CID 123201861
4'-Ethyl-2,3,6'-trimethyl-8'-(3-methylidenepentan-2-yl)-4'-(3-methyl-2-propan-2-ylbutyl)spiro[cyclopropane-1,9'-tricyclo[6.1.1.03,5]decane]
CID 123231886
7-Butan-2-yl-7-methyl-2-methylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
CID 123237786
3-Ethyl-6-(5-ethyl-6,6-dimethyl-8-pent-1-en-3-yl-9-propan-2-yltetradec-8-enyl)-4,7-dimethyl-2,5-dipropyl-3-[2-(3,4,5,10-tetramethyl-2-propan-2-ylcycloundecyl)propan-2-yl]bicyclo[6.1.0]nonane
CID 123256051
2-(Cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane
CID 123338553

Frequently Asked Questions

What is the IUPAC name of 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane?
The IUPAC name of 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane (CID 91225068) is 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane.
What is the SMILES notation for 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane?
The canonical SMILES for 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane is C=C1CCC(CCC)C(C)CC2(C)C(CCCC3CC3C3CC34CC43CC34CC43CC3)C12.
What is the InChIKey of 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane?
The InChIKey is SCMGUBGJUSJCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48/c1-5-7-22-11-10-20(2)27-25(28(27,4)15-21(22)3)9-6-8-23-14-24(23)26-16-30(26)18-32(30)19-31(32)17-29(31)12-13-29/h21-27H,2,5-19H2,1,3-4H3.
What are the key properties of 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane?
7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane has a molecular weight of 432.74 g/mol, XLogP of 8.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[3-(1,3-dimethyl-7-methylidene-4-propyl-9-bicyclo[6.1.0]nonanyl)propyl]cyclopropyl]tetraspiro[2.0.0.0.26.15.14.13]undecane is sourced from PubChem (CID 91225068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).