(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene

C17H26 — CID 165351441

IUPAC(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene
SMILESCc1ccc2c(c1)C(C)(C)[C@@H](C)[C@@H](C)C2(C)C
InChIInChI=1S/C17H26/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-10,12-13H,1-7H3/t12-,13+/m1/s1
InChIKeyNOVFDLLRGDSOJH-OLZOCXBDSA-N
MW230.39 g/mol
LogP4.84
Rot. Bonds

About (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene

(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene (PubChem CID 165351441) has the molecular formula C17H26 and a molecular weight of 230.39 g/mol. Its IUPAC name is (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene.

Molecular Properties

Compound Name(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene
PubChem CID165351441
Molecular FormulaC17H26
Molecular Weight230.39 g/mol
Exact Mass230.20
IUPAC Name(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene
SMILESCc1ccc2c(c1)C(C)(C)[C@@H](C)[C@@H](C)C2(C)C
InChIInChI=1S/C17H26/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-10,12-13H,1-7H3/t12-,13+/m1/s1
InChIKeyNOVFDLLRGDSOJH-OLZOCXBDSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene?
The IUPAC name of (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene (CID 165351441) is (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene.
What is the SMILES notation for (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene?
The canonical SMILES for (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene is Cc1ccc2c(c1)C(C)(C)[C@@H](C)[C@@H](C)C2(C)C.
What is the InChIKey of (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene?
The InChIKey is NOVFDLLRGDSOJH-OLZOCXBDSA-N. The full InChI is InChI=1S/C17H26/c1-11-8-9-14-15(10-11)17(6,7)13(3)12(2)16(14,4)5/h8-10,12-13H,1-7H3/t12-,13+/m1/s1.
What are the key properties of (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene?
(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene has a molecular weight of 230.39 g/mol, XLogP of 4.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene is sourced from PubChem (CID 165351441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).