(3R,6S)-3,6-dimethyldecane

C12H26 — CID 170848353

IUPAC(3R,6S)-3,6-dimethyldecane
SMILESCCCC[C@H](C)CC[C@H](C)CC
InChIInChI=1S/C12H26/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyNQWFSCYWTXQNGG-NEPJUHHUSA-N
MW170.34 g/mol
LogP4.64
Rot. Bonds7

About (3R,6S)-3,6-dimethyldecane

(3R,6S)-3,6-dimethyldecane (PubChem CID 170848353) has the molecular formula C12H26 and a molecular weight of 170.34 g/mol. Its IUPAC name is (3R,6S)-3,6-dimethyldecane.

Molecular Properties

Compound Name(3R,6S)-3,6-dimethyldecane
PubChem CID170848353
Molecular FormulaC12H26
Molecular Weight170.34 g/mol
Exact Mass170.20
IUPAC Name(3R,6S)-3,6-dimethyldecane
SMILESCCCC[C@H](C)CC[C@H](C)CC
InChIInChI=1S/C12H26/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1
InChIKeyNQWFSCYWTXQNGG-NEPJUHHUSA-N
XLogP4.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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15-butyl-3,6-dimethylhexacosane
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N,N-dimethylmethanamine;3-methylheptane
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3,17-dimethylheptatriacontane
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3,13-dimethyltritriacontane
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3,17-dimethylhentriacontane
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(3R,11S)-3,11-dimethyltricosane
CID 163011810
3-methylheptane;oxotitanium
CID 174602327
3,13,19-trimethylheptatriacontane
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Frequently Asked Questions

What is the IUPAC name of (3R,6S)-3,6-dimethyldecane?
The IUPAC name of (3R,6S)-3,6-dimethyldecane (CID 170848353) is (3R,6S)-3,6-dimethyldecane.
What is the SMILES notation for (3R,6S)-3,6-dimethyldecane?
The canonical SMILES for (3R,6S)-3,6-dimethyldecane is CCCC[C@H](C)CC[C@H](C)CC.
What is the InChIKey of (3R,6S)-3,6-dimethyldecane?
The InChIKey is NQWFSCYWTXQNGG-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H26/c1-5-7-8-12(4)10-9-11(3)6-2/h11-12H,5-10H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of (3R,6S)-3,6-dimethyldecane?
(3R,6S)-3,6-dimethyldecane has a molecular weight of 170.34 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-3,6-dimethyldecane is sourced from PubChem (CID 170848353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).