5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane

C16H24 — CID 163918027

IUPAC5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane
SMILESCC1(C)CC2(C3C4CC4C4CC43)CCC12C
InChIInChI=1S/C16H24/c1-14(2)8-16(5-4-15(14,16)3)13-11-6-9(11)10-7-12(10)13/h9-13H,4-8H2,1-3H3
InChIKeyQXYZDESSPFPZFY-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.10
Rot. Bonds1

About 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane

5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane (PubChem CID 163918027) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane.

Molecular Properties

Compound Name5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane
PubChem CID163918027
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane
SMILESCC1(C)CC2(C3C4CC4C4CC43)CCC12C
InChIInChI=1S/C16H24/c1-14(2)8-16(5-4-15(14,16)3)13-11-6-9(11)10-7-12(10)13/h9-13H,4-8H2,1-3H3
InChIKeyQXYZDESSPFPZFY-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane with MolForge

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Related Compounds

4-tert-butyl-1,2,2-trimethylbicyclo[2.2.0]hexane
CID 162524647
(3R,5S,7R,9S,10S,12R,16R,18S,20R,22S,23S,25R)-dodecacyclo[12.12.0.01,6.02,23.03,20.05,18.07,16.09,26.010,15.012,25.013,22.014,19]hexacosane
CID 163021174
hexacyclo[6.5.1.01,5.05,12.07,11.09,13]tetradecane
CID 177393049
3,3-dimethylpentacyclo[7.3.1.14,12.02,7.06,11]tetradecane
CID 58143174
(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane
CID 98557846
(3S)-2,2,5,5-tetramethylspiro[2.3]hexan-6-ol
CID 130634198
(1S,5R,6R,7S,8S,12R,13R,14S)-3,10-dimethylhexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadecane-6,7,13,14-tetrol
CID 10709798
heptacyclo[7.7.1.13,15.01,12.02,7.04,13.06,11]octadecane-9,15-diamine
CID 135013897
2-[1-(cyclohexylmethyl)cyclobutyl]-2-methylspiro[2.3]hexane
CID 163878928
1-methyl-2-[2-[2-(2-methylcyclopropyl)cyclopropyl]cyclopropyl]cyclopropane
CID 123559883
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
1-methyltricyclo[2.1.0.02,5]pentane
CID 86129037

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane?
The IUPAC name of 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane (CID 163918027) is 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane.
What is the SMILES notation for 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane?
The canonical SMILES for 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane is CC1(C)CC2(C3C4CC4C4CC43)CCC12C.
What is the InChIKey of 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane?
The InChIKey is QXYZDESSPFPZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-14(2)8-16(5-4-15(14,16)3)13-11-6-9(11)10-7-12(10)13/h9-13H,4-8H2,1-3H3.
What are the key properties of 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane?
5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane has a molecular weight of 216.37 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,4-trimethyl-1-bicyclo[2.2.0]hexanyl)tricyclo[4.1.0.02,4]heptane is sourced from PubChem (CID 163918027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).