4,4,6-trimethylhept-5-ene-1,3-diol

C10H20O2 — CID 57071896

IUPAC4,4,6-trimethylhept-5-ene-1,3-diol
SMILESCC(C)=CC(C)(C)C(O)CCO
InChIInChI=1S/C10H20O2/c1-8(2)7-10(3,4)9(12)5-6-11/h7,9,11-12H,5-6H2,1-4H3
InChIKeyRLGQNUVTPZCVTB-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.72
Rot. Bonds4

About 4,4,6-trimethylhept-5-ene-1,3-diol

4,4,6-trimethylhept-5-ene-1,3-diol (PubChem CID 57071896) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4,4,6-trimethylhept-5-ene-1,3-diol.

Molecular Properties

Compound Name4,4,6-trimethylhept-5-ene-1,3-diol
PubChem CID57071896
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4,4,6-trimethylhept-5-ene-1,3-diol
SMILESCC(C)=CC(C)(C)C(O)CCO
InChIInChI=1S/C10H20O2/c1-8(2)7-10(3,4)9(12)5-6-11/h7,9,11-12H,5-6H2,1-4H3
InChIKeyRLGQNUVTPZCVTB-UHFFFAOYSA-N
XLogP1.72
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 174409
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CID 10060040
(1R,3E,7E)-3,7,10,10-tetramethylcycloundeca-3,7-dien-1-ol
CID 162918833
2-Ethenyl-2,6-dimethylhept-5-en-1-ol
CID 11095037
3,5,5-Trimethylcyclohex-3-en-1-ol
CID 11275049
3,6-Dimethyl-3-vinylhept-5-en-2-ol
CID 3020401
(E)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
CID 134905987
(Z)-2,2,9,9-tetramethyldec-5-ene-3,8-diol
CID 134906099
2,2-Dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanol
CID 19389490
5,5-Dimethyldihydroresorcin
CID 20976015
(r)-3,5,5-Trimethylcyclohex-3-ene-1-ol
CID 44134175
Allylpentaerythritol
CID 54046083

Frequently Asked Questions

What is the IUPAC name of 4,4,6-trimethylhept-5-ene-1,3-diol?
The IUPAC name of 4,4,6-trimethylhept-5-ene-1,3-diol (CID 57071896) is 4,4,6-trimethylhept-5-ene-1,3-diol.
What is the SMILES notation for 4,4,6-trimethylhept-5-ene-1,3-diol?
The canonical SMILES for 4,4,6-trimethylhept-5-ene-1,3-diol is CC(C)=CC(C)(C)C(O)CCO.
What is the InChIKey of 4,4,6-trimethylhept-5-ene-1,3-diol?
The InChIKey is RLGQNUVTPZCVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)7-10(3,4)9(12)5-6-11/h7,9,11-12H,5-6H2,1-4H3.
What are the key properties of 4,4,6-trimethylhept-5-ene-1,3-diol?
4,4,6-trimethylhept-5-ene-1,3-diol has a molecular weight of 172.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethylhept-5-ene-1,3-diol is sourced from PubChem (CID 57071896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).