4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane

C19H24 — CID 100957909

IUPAC4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
SMILESC=C1CC2CC1C1C3CC(C21)C1C2CC(=C)C(C2)C31
InChIInChI=1S/C19H24/c1-8-3-10-5-12(8)18-15-7-14(16(10)18)17-11-4-9(2)13(6-11)19(15)17/h10-19H,1-7H2
InChIKeyKUIQEFPYLRHZRG-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.29
Rot. Bonds

About 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane

4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane (PubChem CID 100957909) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane.

Molecular Properties

Compound Name4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
PubChem CID100957909
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane
SMILESC=C1CC2CC1C1C3CC(C21)C1C2CC(=C)C(C2)C31
InChIInChI=1S/C19H24/c1-8-3-10-5-12(8)18-15-7-14(16(10)18)17-11-4-9(2)13(6-11)19(15)17/h10-19H,1-7H2
InChIKeyKUIQEFPYLRHZRG-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
CID 13462522
(1S,2S,5S)-2-methyl-4-methylidenebicyclo[3.1.0]hexane
CID 134852734
(1R,5R)-2,6-dimethyl-8-methylidene-3-oxabicyclo[3.3.1]nonane
CID 42648527
(1S,2R,4R,5R)-6,7-dimethylidenetricyclo[3.2.2.02,4]nonane
CID 50919070
(1S,3S,4R)-5-methylidene-2-azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 146565043
(2R)-6-methylidenebicyclo[2.2.1]heptan-2-ol
CID 135013318
3-methylidenebicyclo[3.2.0]heptan-6-ol
CID 163569248
6-cyclopropyl-2-methylidenebicyclo[3.2.0]heptane
CID 163850995
(1R,2R,4S)-6-methylidenebicyclo[2.2.2]octan-2-ol
CID 13196985
6-methyl-3-methylidenebicyclo[3.2.1]octane
CID 163817249
2,4-dimethyl-7-methylidene-1,2,3,3a,4,5,6,7a-octahydroinden-5-ol
CID 174938123
(6R)-pentacyclo[5.4.0.02,6.03,5.08,10]undecane
CID 163852923

Frequently Asked Questions

What is the IUPAC name of 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane?
The IUPAC name of 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane (CID 100957909) is 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane.
What is the SMILES notation for 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane?
The canonical SMILES for 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane is C=C1CC2CC1C1C3CC(C21)C1C2CC(=C)C(C2)C31.
What is the InChIKey of 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane?
The InChIKey is KUIQEFPYLRHZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-8-3-10-5-12(8)18-15-7-14(16(10)18)17-11-4-9(2)13(6-11)19(15)17/h10-19H,1-7H2.
What are the key properties of 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane?
4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane has a molecular weight of 252.40 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dimethylidenehexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecane is sourced from PubChem (CID 100957909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).