(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene

C18H28 — CID 97304138

IUPAC(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC[C@H](C)[C@H]1CCCc2cc(C)c(C)cc21
InChIInChI=1S/C18H28/c1-5-6-8-13(2)17-10-7-9-16-11-14(3)15(4)12-18(16)17/h11-13,17H,5-10H2,1-4H3/t13-,17+/m0/s1
InChIKeyCWPGVPMJBADTES-SUMWQHHRSA-N
MW244.42 g/mol
LogP5.55
Rot. Bonds4

About (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene

(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 97304138) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID97304138
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCC[C@H](C)[C@H]1CCCc2cc(C)c(C)cc21
InChIInChI=1S/C18H28/c1-5-6-8-13(2)17-10-7-9-16-11-14(3)15(4)12-18(16)17/h11-13,17H,5-10H2,1-4H3/t13-,17+/m0/s1
InChIKeyCWPGVPMJBADTES-SUMWQHHRSA-N
XLogP5.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene (CID 97304138) is (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene is CCCC[C@H](C)[C@H]1CCCc2cc(C)c(C)cc21.
What is the InChIKey of (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is CWPGVPMJBADTES-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H28/c1-5-6-8-13(2)17-10-7-9-16-11-14(3)15(4)12-18(16)17/h11-13,17H,5-10H2,1-4H3/t13-,17+/m0/s1.
What are the key properties of (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene?
(1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 244.42 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S)-hexan-2-yl]-6,7-dimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 97304138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).