(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene

C14H22 — CID 159433734

IUPAC(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene
SMILESC=C1C=C2[C@H](C1)C(C)(C)CCC2(C)C
InChIInChI=1S/C14H22/c1-10-8-11-12(9-10)14(4,5)7-6-13(11,2)3/h8,12H,1,6-7,9H2,2-5H3/t12-/m0/s1
InChIKeyLRHQIEWWPIUKLR-LBPRGKRZSA-N
MW190.33 g/mol
LogP4.34
Rot. Bonds

About (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene

(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene (PubChem CID 159433734) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene.

Molecular Properties

Compound Name(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene
PubChem CID159433734
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Name(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene
SMILESC=C1C=C2[C@H](C1)C(C)(C)CCC2(C)C
InChIInChI=1S/C14H22/c1-10-8-11-12(9-10)14(4,5)7-6-13(11,2)3/h8,12H,1,6-7,9H2,2-5H3/t12-/m0/s1
InChIKeyLRHQIEWWPIUKLR-LBPRGKRZSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4,4-dimethyl-2-methylidene-5,6,7,7a-tetrahydro-1H-indene
CID 158405680
1-methyl-3-methylidene-6-oxabicyclo[3.1.0]hexane
CID 45120317
3-cyclobutyl-4,4-dimethylcyclohex-2-en-1-one
CID 18320201
1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
1,2-dimethyl-4-methylidene-1-prop-1-en-2-ylcyclopentane
CID 20644989
8,8-dimethyl-3,4,4a,5,6,7-hexahydronaphthalen-2-one
CID 14712623
4,4-dimethyl-5,6,7,7a-tetrahydro-1-benzofuran-2-one
CID 86049416
[(1S)-2,2-dimethyl-6-methylidenecyclohexyl]sulfonylbenzene
CID 101227457
6,6-dimethylcyclohex-2-en-1-ol
CID 550886
acetylene;1,1-dimethyl-2-methylidenecyclohexane
CID 91391286
1-methyl-3-methylidenebicyclo[3.1.0]hexane
CID 90931570
(1R)-1-methyl-3,7-dimethylidenebicyclo[3.2.0]heptane
CID 59110723

Frequently Asked Questions

What is the IUPAC name of (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene?
The IUPAC name of (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene (CID 159433734) is (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene.
What is the SMILES notation for (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene?
The canonical SMILES for (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene is C=C1C=C2[C@H](C1)C(C)(C)CCC2(C)C.
What is the InChIKey of (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene?
The InChIKey is LRHQIEWWPIUKLR-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22/c1-10-8-11-12(9-10)14(4,5)7-6-13(11,2)3/h8,12H,1,6-7,9H2,2-5H3/t12-/m0/s1.
What are the key properties of (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene?
(7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene has a molecular weight of 190.33 g/mol, XLogP of 4.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-4,4,7,7-tetramethyl-2-methylidene-1,5,6,7a-tetrahydroindene is sourced from PubChem (CID 159433734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).