(6S)-6-ethoxy-2,6-dimethyloctane

C12H26O — CID 10845256

IUPAC(6S)-6-ethoxy-2,6-dimethyloctane
SMILESCCO[C@@](C)(CC)CCCC(C)C
InChIInChI=1S/C12H26O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h11H,6-10H2,1-5H3/t12-/m0/s1
InChIKeySRWYUSGVXPNSRQ-LBPRGKRZSA-N
MW186.34 g/mol
LogP4.02
Rot. Bonds7

About (6S)-6-ethoxy-2,6-dimethyloctane

(6S)-6-ethoxy-2,6-dimethyloctane (PubChem CID 10845256) has the molecular formula C12H26O and a molecular weight of 186.34 g/mol. Its IUPAC name is (6S)-6-ethoxy-2,6-dimethyloctane.

Molecular Properties

Compound Name(6S)-6-ethoxy-2,6-dimethyloctane
PubChem CID10845256
Molecular FormulaC12H26O
Molecular Weight186.34 g/mol
Exact Mass186.20
IUPAC Name(6S)-6-ethoxy-2,6-dimethyloctane
SMILESCCO[C@@](C)(CC)CCCC(C)C
InChIInChI=1S/C12H26O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h11H,6-10H2,1-5H3/t12-/m0/s1
InChIKeySRWYUSGVXPNSRQ-LBPRGKRZSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethoxy-2,6-dimethyloctane?
The IUPAC name of (6S)-6-ethoxy-2,6-dimethyloctane (CID 10845256) is (6S)-6-ethoxy-2,6-dimethyloctane.
What is the SMILES notation for (6S)-6-ethoxy-2,6-dimethyloctane?
The canonical SMILES for (6S)-6-ethoxy-2,6-dimethyloctane is CCO[C@@](C)(CC)CCCC(C)C.
What is the InChIKey of (6S)-6-ethoxy-2,6-dimethyloctane?
The InChIKey is SRWYUSGVXPNSRQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H26O/c1-6-12(5,13-7-2)10-8-9-11(3)4/h11H,6-10H2,1-5H3/t12-/m0/s1.
What are the key properties of (6S)-6-ethoxy-2,6-dimethyloctane?
(6S)-6-ethoxy-2,6-dimethyloctane has a molecular weight of 186.34 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethoxy-2,6-dimethyloctane is sourced from PubChem (CID 10845256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).