(2S,8S)-5-propan-2-ylnonane-2,8-diol

C12H26O2 — CID 135390954

IUPAC(2S,8S)-5-propan-2-ylnonane-2,8-diol
SMILESCC(C)C(CC[C@H](C)O)CC[C@H](C)O
InChIInChI=1S/C12H26O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-14H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyUBXHRGCEAFKBFZ-QWRGUYRKSA-N
MW202.34 g/mol
LogP2.58
Rot. Bonds7

About (2S,8S)-5-propan-2-ylnonane-2,8-diol

(2S,8S)-5-propan-2-ylnonane-2,8-diol (PubChem CID 135390954) has the molecular formula C12H26O2 and a molecular weight of 202.34 g/mol. Its IUPAC name is (2S,8S)-5-propan-2-ylnonane-2,8-diol.

Molecular Properties

Compound Name(2S,8S)-5-propan-2-ylnonane-2,8-diol
PubChem CID135390954
Molecular FormulaC12H26O2
Molecular Weight202.34 g/mol
Exact Mass202.19
IUPAC Name(2S,8S)-5-propan-2-ylnonane-2,8-diol
SMILESCC(C)C(CC[C@H](C)O)CC[C@H](C)O
InChIInChI=1S/C12H26O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-14H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyUBXHRGCEAFKBFZ-QWRGUYRKSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,8S)-5-propan-2-ylnonane-2,8-diol?
The IUPAC name of (2S,8S)-5-propan-2-ylnonane-2,8-diol (CID 135390954) is (2S,8S)-5-propan-2-ylnonane-2,8-diol.
What is the SMILES notation for (2S,8S)-5-propan-2-ylnonane-2,8-diol?
The canonical SMILES for (2S,8S)-5-propan-2-ylnonane-2,8-diol is CC(C)C(CC[C@H](C)O)CC[C@H](C)O.
What is the InChIKey of (2S,8S)-5-propan-2-ylnonane-2,8-diol?
The InChIKey is UBXHRGCEAFKBFZ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H26O2/c1-9(2)12(7-5-10(3)13)8-6-11(4)14/h9-14H,5-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,8S)-5-propan-2-ylnonane-2,8-diol?
(2S,8S)-5-propan-2-ylnonane-2,8-diol has a molecular weight of 202.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,8S)-5-propan-2-ylnonane-2,8-diol is sourced from PubChem (CID 135390954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).