6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol

C10H18O3 — CID 76711660

IUPAC6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol
SMILESC=C(C)C(CCC(C)=CCO)OO
InChIInChI=1S/C10H18O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3
InChIKeyRGTKRAAJKRHHDL-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.14
Rot. Bonds6

About 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol

6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol (PubChem CID 76711660) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol.

Molecular Properties

Compound Name6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol
PubChem CID76711660
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol
SMILESC=C(C)C(CCC(C)=CCO)OO
InChIInChI=1S/C10H18O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3
InChIKeyRGTKRAAJKRHHDL-UHFFFAOYSA-N
XLogP2.14
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroperoxy-7-methyl-3-methylideneoct-7-en-1-ol
CID 102244912
6-chloro-3,7-dimethylocta-2,7-dien-1-ol;propanoic acid
CID 71331223
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
CID 52929831
3-hydroperoxy-2-methylhex-1-ene
CID 12949710
3,7,13,17,21-pentamethyl-10-prop-1-en-2-yldocosa-2,6,12,16,20-pentaen-1-ol
CID 72753022
(2R)-5-[(3S)-3-hydroperoxy-4-methylpent-4-enyl]-2-[(2E,6Z)-8-hydroxy-6-methylocta-2,6-dien-2-yl]-2,3-dihydropyran-6-one
CID 162905130
5-hydroperoxy-6-methylhept-6-en-2-ol
CID 58114812
7-(6-hydroperoxy-3,7-dimethylocta-2,7-dienoxy)-8-methoxychromen-2-one
CID 162990944
(3R,6E,10E,14E)-6,10,14-trimethyl-2-methylidenehexadeca-6,10,14-triene-1,3,16-triol
CID 163039097
(2E,6E)-10,10-dimethoxy-3,7-dimethyldeca-2,6-dien-1-ol
CID 5366901
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
(3-hydroperoxy-4-methylpent-4-enoxy)-methyl-oxophosphanium
CID 58445532

Frequently Asked Questions

What is the IUPAC name of 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol?
The IUPAC name of 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol (CID 76711660) is 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol.
What is the SMILES notation for 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol?
The canonical SMILES for 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol is C=C(C)C(CCC(C)=CCO)OO.
What is the InChIKey of 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol?
The InChIKey is RGTKRAAJKRHHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(2)10(13-12)5-4-9(3)6-7-11/h6,10-12H,1,4-5,7H2,2-3H3.
What are the key properties of 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol?
6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol has a molecular weight of 186.25 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol is sourced from PubChem (CID 76711660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).