(3R,6R)-6-hydroxy-3,7-dimethyloctanal

C10H20O2 — CID 93477566

IUPAC(3R,6R)-6-hydroxy-3,7-dimethyloctanal
SMILESCC(C)[C@H](O)CC[C@@H](C)CC=O
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyWUQSJCTYRDULCX-NXEZZACHSA-N
MW172.27 g/mol
LogP2.01
Rot. Bonds6

About (3R,6R)-6-hydroxy-3,7-dimethyloctanal

(3R,6R)-6-hydroxy-3,7-dimethyloctanal (PubChem CID 93477566) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (3R,6R)-6-hydroxy-3,7-dimethyloctanal.

Molecular Properties

Compound Name(3R,6R)-6-hydroxy-3,7-dimethyloctanal
PubChem CID93477566
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(3R,6R)-6-hydroxy-3,7-dimethyloctanal
SMILESCC(C)[C@H](O)CC[C@@H](C)CC=O
InChIInChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3/t9-,10-/m1/s1
InChIKeyWUQSJCTYRDULCX-NXEZZACHSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-hydroxy-3,7-dimethyloctanal?
The IUPAC name of (3R,6R)-6-hydroxy-3,7-dimethyloctanal (CID 93477566) is (3R,6R)-6-hydroxy-3,7-dimethyloctanal.
What is the SMILES notation for (3R,6R)-6-hydroxy-3,7-dimethyloctanal?
The canonical SMILES for (3R,6R)-6-hydroxy-3,7-dimethyloctanal is CC(C)[C@H](O)CC[C@@H](C)CC=O.
What is the InChIKey of (3R,6R)-6-hydroxy-3,7-dimethyloctanal?
The InChIKey is WUQSJCTYRDULCX-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(12)5-4-9(3)6-7-11/h7-10,12H,4-6H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of (3R,6R)-6-hydroxy-3,7-dimethyloctanal?
(3R,6R)-6-hydroxy-3,7-dimethyloctanal has a molecular weight of 172.27 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-hydroxy-3,7-dimethyloctanal is sourced from PubChem (CID 93477566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).