1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane

C18H34 — CID 123177166

IUPAC1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane
SMILESC=C(CCC(C(C)C)C1CC1(C)C)C(C)C(C)C
InChIInChI=1S/C18H34/c1-12(2)15(6)14(5)9-10-16(13(3)4)17-11-18(17,7)8/h12-13,15-17H,5,9-11H2,1-4,6-8H3
InChIKeyNGRSJULQSSZSNX-UHFFFAOYSA-N
MW250.47 g/mol
LogP5.93
Rot. Bonds7

About 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane

1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane (PubChem CID 123177166) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane
PubChem CID123177166
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane
SMILESC=C(CCC(C(C)C)C1CC1(C)C)C(C)C(C)C
InChIInChI=1S/C18H34/c1-12(2)15(6)14(5)9-10-16(13(3)4)17-11-18(17,7)8/h12-13,15-17H,5,9-11H2,1-4,6-8H3
InChIKeyNGRSJULQSSZSNX-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.93
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-dimethyl-2-(2-methylnonan-3-yl)cyclopropane
CID 123682782
2,3-dimethyl-4-methylideneheptane
CID 123725003
1,1-dimethyl-2-(3-methylbutan-2-yl)cyclopropane
CID 91430882
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
3-amino-3-(2,2-dimethylcyclopropyl)propan-1-ol
CID 131123429
2-(4,5-dimethylheptan-3-yl)-1,1-dimethylcyclopropane
CID 90861114
1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107004692
[(1S)-2,2-dimethylcyclopropyl]methanediol
CID 70611170
4-[3-(2,2-dimethylcyclopropyl)but-1-en-2-yl]-1,2-dimethylcyclopentane
CID 123513312
1,1-dimethyl-2-(3,4,5-trimethylhexan-2-yl)cyclopropane
CID 91175981
(1S)-1-[(1R)-2,2-dimethylcyclopropyl]ethanamine
CID 90067113
2-(aminomethyl)-1-(2,2-dimethylcyclopropyl)pentan-1-ol
CID 107003526

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane (CID 123177166) is 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane is C=C(CCC(C(C)C)C1CC1(C)C)C(C)C(C)C.
What is the InChIKey of 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane?
The InChIKey is NGRSJULQSSZSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34/c1-12(2)15(6)14(5)9-10-16(13(3)4)17-11-18(17,7)8/h12-13,15-17H,5,9-11H2,1-4,6-8H3.
What are the key properties of 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane?
1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane has a molecular weight of 250.47 g/mol, XLogP of 5.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(2,7,8-trimethyl-6-methylidenenonan-3-yl)cyclopropane is sourced from PubChem (CID 123177166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).