(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene

C16H24 — CID 98564559

IUPAC(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCc1ccc2c(c1)[C@@H](C(C)C)CCC2(C)C
InChIInChI=1S/C16H24/c1-11(2)13-8-9-16(4,5)15-7-6-12(3)10-14(13)15/h6-7,10-11,13H,8-9H2,1-5H3/t13-/m1/s1
InChIKeySVKVJRRUBNLITP-CYBMUJFWSA-N
MW216.37 g/mol
LogP4.81
Rot. Bonds1

About (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene

(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene (PubChem CID 98564559) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene
PubChem CID98564559
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene
SMILESCc1ccc2c(c1)[C@@H](C(C)C)CCC2(C)C
InChIInChI=1S/C16H24/c1-11(2)13-8-9-16(4,5)15-7-6-12(3)10-14(13)15/h6-7,10-11,13H,8-9H2,1-5H3/t13-/m1/s1
InChIKeySVKVJRRUBNLITP-CYBMUJFWSA-N
XLogP4.81
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 ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene?
The IUPAC name of (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene (CID 98564559) is (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene is Cc1ccc2c(c1)[C@@H](C(C)C)CCC2(C)C.
What is the InChIKey of (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene?
The InChIKey is SVKVJRRUBNLITP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24/c1-11(2)13-8-9-16(4,5)15-7-6-12(3)10-14(13)15/h6-7,10-11,13H,8-9H2,1-5H3/t13-/m1/s1.
What are the key properties of (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene?
(1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene has a molecular weight of 216.37 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,4,7-trimethyl-1-propan-2-yl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 98564559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).