2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane

C20H32 — CID 74318302

IUPAC2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
SMILESC=C1CCC23CC1CC2CCC1C(C)(C)CCCC13C
InChIInChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3
InChIKeyGNNRCBBKCVNPSC-UHFFFAOYSA-N
MW272.48 g/mol
LogP5.98
Rot. Bonds

About 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane

2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane (PubChem CID 74318302) has the molecular formula C20H32 and a molecular weight of 272.48 g/mol. Its IUPAC name is 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane.

Molecular Properties

Compound Name2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
PubChem CID74318302
Molecular FormulaC20H32
Molecular Weight272.48 g/mol
Exact Mass272.25
IUPAC Name2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane
SMILESC=C1CCC23CC1CC2CCC1C(C)(C)CCCC13C
InChIInChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3
InChIKeyGNNRCBBKCVNPSC-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.48
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,2S,7S,10S,12R)-2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadec-13-ene
CID 15907362
2,6,6,13-tetramethyltetracyclo[10.3.1.01,10.02,7]hexadecane-12,13-diol
CID 14845624
(1'R,2'S,7'S,10'S,14'S)-2',6',6',12'-tetramethyl-15'-methylidenespiro[1,3-dioxolane-2,13'-tetracyclo[8.6.0.01,14.02,7]hexadecane]
CID 135033184
(1R,2S,7R,10S)-2-methyltetracyclo[10.3.1.01,10.02,7]hexadecane-4,6,13-trione
CID 11054878
(1R,2S,6S,10S,12R,13S)-6-(hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol
CID 90662481
(1R,4R,9S,10R,13S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 59445821
5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 520687
(1S,9R,10R,13R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane
CID 16667389
[(2R,4aS,4bS,8aS,10aS)-3,4a,4b,8,8-pentamethyl-2,3,4,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-yl] acetate
CID 134577052
(8aS)-5,5,8a-trimethyl-1-methylidene-3,4,4a,6,7,8-hexahydronaphthalen-2-one
CID 10703503
(1S,3aR,7aS)-4,4,7a-trimethyl-2-methylidene-1,3,3a,5,6,7-hexahydroinden-1-ol
CID 130977926
2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 173099126

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane?
The IUPAC name of 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane (CID 74318302) is 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane.
What is the SMILES notation for 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane?
The canonical SMILES for 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane is C=C1CCC23CC1CC2CCC1C(C)(C)CCCC13C.
What is the InChIKey of 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane?
The InChIKey is GNNRCBBKCVNPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32/c1-14-8-11-20-13-15(14)12-16(20)6-7-17-18(2,3)9-5-10-19(17,20)4/h15-17H,1,5-13H2,2-4H3.
What are the key properties of 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane?
2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane has a molecular weight of 272.48 g/mol, XLogP of 5.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-13-methylidenetetracyclo[10.3.1.01,10.02,7]hexadecane is sourced from PubChem (CID 74318302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).