7-hydroxy-3,7-dimethyloctanal

C10H20O2 — CID 7888

IUPAC7-hydroxy-3,7-dimethyloctanal
SMILESCC(CC=O)CCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChIKeyWPFVBOQKRVRMJB-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.15
Rot. Bonds6

About 7-hydroxy-3,7-dimethyloctanal

7-hydroxy-3,7-dimethyloctanal (PubChem CID 7888) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 7-hydroxy-3,7-dimethyloctanal.

Molecular Properties

Compound Name7-hydroxy-3,7-dimethyloctanal
PubChem CID7888
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name7-hydroxy-3,7-dimethyloctanal
SMILESCC(CC=O)CCCC(C)(C)O
InChIInChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3
InChIKeyWPFVBOQKRVRMJB-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxy-3,7-Dimethyloctanal
CID 19223
(+-)-6-Methoxy-2,6-dimethylheptanal
CID 112491
(S)-7-hydroxy-3,7-dimethyloctanal
CID 1715134
6-Hydroxy-2,6-dimethylheptanal
CID 20554059
6-Methoxy-2,6-dimethyloctanal
CID 24755581
3,7-Dimethyl-7-ethoxyoctanal
CID 160707
7-Hydroxycitronellic acid
CID 249484
8-Hydroxy-2,6-dimethyloctan-3-one
CID 3019961
(S)-7-Methoxy-3,7-dimethyloctanal
CID 6999891
(5R,8S)-8-hydroxy-5-propan-2-ylnonan-2-one
CID 102096486
(r)-7-Hydroxy-3,7-dimethyl-octanal
CID 1550260
12-Hydroxy-12-methyltridecanal
CID 14116364

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3,7-dimethyloctanal?
The IUPAC name of 7-hydroxy-3,7-dimethyloctanal (CID 7888) is 7-hydroxy-3,7-dimethyloctanal.
What is the SMILES notation for 7-hydroxy-3,7-dimethyloctanal?
The canonical SMILES for 7-hydroxy-3,7-dimethyloctanal is CC(CC=O)CCCC(C)(C)O.
What is the InChIKey of 7-hydroxy-3,7-dimethyloctanal?
The InChIKey is WPFVBOQKRVRMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 7-hydroxy-3,7-dimethyloctanal?
7-hydroxy-3,7-dimethyloctanal has a molecular weight of 172.27 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3,7-dimethyloctanal is sourced from PubChem (CID 7888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).