(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol

C10H18O3 — CID 131752432

IUPAC(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
SMILESC=C(CO)C(O)CC/C(C)=C\CO
InChIInChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-
InChIKeyKSMRZTSAPKWVGY-YVMONPNESA-N
MW186.25 g/mol
LogP0.61
Rot. Bonds6

About (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol

(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol (PubChem CID 131752432) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol.

Molecular Properties

Compound Name(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
PubChem CID131752432
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
SMILESC=C(CO)C(O)CC/C(C)=C\CO
InChIInChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-
InChIKeyKSMRZTSAPKWVGY-YVMONPNESA-N
XLogP0.61
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methyldec-3-en-5-ol
CID 6441135
2-Cyclohexen-1-ol, 3-methyl-
CID 89487
4-Methyl-3-decen-5-ol
CID 163336
Geraniol hydrate
CID 10953994
Boletinin C
CID 10426301
Boletinin D
CID 11416024
boletinin B
CID 11723673
2-Methyl-2-cyclohexen-1-ol
CID 300312
cis-Piperitenol
CID 6429050
(Z)-2-(4-methylpent-3-enyl)but-2-ene-1,4-diol
CID 14310718
(2E,6E,9xi)-Farnesol
CID 101648403
(E)-octacos-10-ene-1,12-diol
CID 131752969

Frequently Asked Questions

What is the IUPAC name of (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The IUPAC name of (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol (CID 131752432) is (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol.
What is the SMILES notation for (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The canonical SMILES for (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol is C=C(CO)C(O)CC/C(C)=C\CO.
What is the InChIKey of (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
The InChIKey is KSMRZTSAPKWVGY-YVMONPNESA-N. The full InChI is InChI=1S/C10H18O3/c1-8(5-6-11)3-4-10(13)9(2)7-12/h5,10-13H,2-4,6-7H2,1H3/b8-5-.
What are the key properties of (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol?
(Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol has a molecular weight of 186.25 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol is sourced from PubChem (CID 131752432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).