2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane

C16H28 — CID 123338553

IUPAC2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane
SMILESC=C(C(C)C)C(CC)C1(C)CC1CC1CC1
InChIInChI=1S/C16H28/c1-6-15(12(4)11(2)3)16(5)10-14(16)9-13-7-8-13/h11,13-15H,4,6-10H2,1-3,5H3
InChIKeyHYFVUHVFTNYTHR-UHFFFAOYSA-N
MW220.40 g/mol
LogP5.05
Rot. Bonds6

About 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane

2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane (PubChem CID 123338553) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane
PubChem CID123338553
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Name2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane
SMILESC=C(C(C)C)C(CC)C1(C)CC1CC1CC1
InChIInChI=1S/C16H28/c1-6-15(12(4)11(2)3)16(5)10-14(16)9-13-7-8-13/h11,13-15H,4,6-10H2,1-3,5H3
InChIKeyHYFVUHVFTNYTHR-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.05
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-methyl-2-propenyl)cyclopropane
CID 534976
1-Pentene, 5-(2,2-dimethylcyclopropyl)-2-methyl-4-methylene-
CID 535149
1,5-Dimethyl-6-methylenespiro(2.4)heptane
CID 556472
1-(4-Tert-butyl-5-methylhexa-1,5-dien-2-yl)-1-fluorocyclopropane
CID 169620909
Cyclopropane, 1-(1-methylethyl)-2-(2-methyl-1-methylenepropyl)-
CID 557213
1-(1-Methylcyclopropyl)-2-methylidenecyclopropane
CID 15208287
1-Cyclopropyl-1-methyl-2-methylidenecyclopropane
CID 123638266
1-cyclopropyl-1-[(3E)-4,8-dimethylnona-3,7-dienyl]cyclopropane
CID 140742695
8-Methylidene-2-prop-1-en-2-ylspiro[2.5]octane
CID 12435167
4-Methylidene-1-(prop-1-en-2-yl)spiro[2.6]nonane
CID 12435173
6-Methylidenetrispiro[2.0.0.25.14.13]nonane
CID 14787802
7-Methylidenetetraspiro[2.0.0.0.26.15.14.13]undecane
CID 14787805

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane?
The IUPAC name of 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane (CID 123338553) is 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane.
What is the SMILES notation for 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane?
The canonical SMILES for 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane is C=C(C(C)C)C(CC)C1(C)CC1CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane?
The InChIKey is HYFVUHVFTNYTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28/c1-6-15(12(4)11(2)3)16(5)10-14(16)9-13-7-8-13/h11,13-15H,4,6-10H2,1-3,5H3.
What are the key properties of 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane?
2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane has a molecular weight of 220.40 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-1-methyl-1-(5-methyl-4-methylidenehexan-3-yl)cyclopropane is sourced from PubChem (CID 123338553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).