(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane

C12H20 — CID 58241652

IUPAC(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
SMILESCC1C(C)C2C1C1C2[C@H](C)[C@@H]1C
InChIInChI=1S/C12H20/c1-5-6(2)10-9(5)11-7(3)8(4)12(10)11/h5-12H,1-4H3/t5-,6+,7?,8?,9?,10?,11?,12?
InChIKeyHXRJCHNITJWZIK-REWDQGBHSA-N
MW164.29 g/mol
LogP3.04
Rot. Bonds

About (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane

(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane (PubChem CID 58241652) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane.

Molecular Properties

Compound Name(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
PubChem CID58241652
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
SMILESCC1C(C)C2C1C1C2[C@H](C)[C@@H]1C
InChIInChI=1S/C12H20/c1-5-6(2)10-9(5)11-7(3)8(4)12(10)11/h5-12H,1-4H3/t5-,6+,7?,8?,9?,10?,11?,12?
InChIKeyHXRJCHNITJWZIK-REWDQGBHSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
CID 58453423
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
19,20-dimethylnonadecacyclo[36.2.0.02,37.03,36.04,35.05,34.06,33.07,32.08,31.09,30.010,29.011,28.012,27.013,26.014,25.015,24.016,23.017,22.018,21]tetracontane
CID 59256890
17,18-dimethyloctadecacyclo[32.4.0.02,33.03,32.04,31.05,30.06,29.07,28.08,27.09,26.010,25.011,24.012,23.013,22.014,21.015,20.016,19.035,38]octatriacontane
CID 59256891
4-ethyl-9,10-dimethylpentacyclo[5.4.0.02,6.03,5.08,11]undecane
CID 123596860
3-ethyl-4,7,8-trimethyltricyclo[4.2.0.02,5]octane
CID 123396298
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
3,4,5,8-tetramethyl-9-[2,3,4-trimethyl-5-[3,4,5-trimethyl-9-(2,3,4,5-tetramethylcyclopentyl)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentyl]tricyclo[5.2.1.02,6]decane
CID 123436578

Frequently Asked Questions

What is the IUPAC name of (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane?
The IUPAC name of (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane (CID 58241652) is (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane.
What is the SMILES notation for (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane?
The canonical SMILES for (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane is CC1C(C)C2C1C1C2[C@H](C)[C@@H]1C.
What is the InChIKey of (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane?
The InChIKey is HXRJCHNITJWZIK-REWDQGBHSA-N. The full InChI is InChI=1S/C12H20/c1-5-6(2)10-9(5)11-7(3)8(4)12(10)11/h5-12H,1-4H3/t5-,6+,7?,8?,9?,10?,11?,12?.
What are the key properties of (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane?
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane has a molecular weight of 164.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane is sourced from PubChem (CID 58241652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).