(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C12H22 — CID 91751840

IUPAC(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@@H]1CCC2CC[C@@H](C)CC2C1
InChIInChI=1S/C12H22/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h9-12H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1
InChIKeyUEWGMCABYBZCPD-QYNFOATHSA-N
MW166.31 g/mol
LogP3.86
Rot. Bonds

About (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 91751840) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID91751840
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESC[C@@H]1CCC2CC[C@@H](C)CC2C1
InChIInChI=1S/C12H22/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h9-12H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1
InChIKeyUEWGMCABYBZCPD-QYNFOATHSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 91751840) is (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is C[C@@H]1CCC2CC[C@@H](C)CC2C1.
What is the InChIKey of (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is UEWGMCABYBZCPD-QYNFOATHSA-N. The full InChI is InChI=1S/C12H22/c1-9-3-5-11-6-4-10(2)8-12(11)7-9/h9-12H,3-8H2,1-2H3/t9-,10-,11?,12?/m1/s1.
What are the key properties of (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
(2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 166.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,7R)-2,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 91751840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).