(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol

C10H18O2 — CID 154496007

IUPAC(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
SMILESCC(C)=CC[C@H](O)/C(C)=C\CO
InChIInChI=1S/C10H18O2/c1-8(2)4-5-10(12)9(3)6-7-11/h4,6,10-12H,5,7H2,1-3H3/b9-6-/t10-/m0/s1
InChIKeyPTCYLOJKSMVJTR-MBACFSSFSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds4

About (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol

(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol (PubChem CID 154496007) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
PubChem CID154496007
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol
SMILESCC(C)=CC[C@H](O)/C(C)=C\CO
InChIInChI=1S/C10H18O2/c1-8(2)4-5-10(12)9(3)6-7-11/h4,6,10-12H,5,7H2,1-3H3/b9-6-/t10-/m0/s1
InChIKeyPTCYLOJKSMVJTR-MBACFSSFSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
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

(2E)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 22323960
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
CID 129379674
(5E)-7-hydroxy-6,10-dimethylundeca-5,9-dien-2-one
CID 91999240
(3S)-2,6-dimethylhepta-1,5-dien-3-ol
CID 12774566
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
(1S,3E,5R)-1-[(2S,3S)-2-(hydroxymethyl)-3-[(Z)-5-hydroxy-3-methylpent-3-enyl]oxiran-2-yl]-4,8-dimethylnona-3,7-diene-1,5-diol
CID 162899702
(2S,3E)-3,7-dimethylocta-3,6-diene-1,2-diol
CID 11789646
3-methylbut-2-en-1-ol;hydrate
CID 172859141
2,6-dimethylhepta-2,5-diene;(3S)-3-hydroxy-6-methylhept-5-en-2-one
CID 160955603
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
3-methyl-5-tri(propan-2-yl)silyloxypent-2-ene-1,4-diol
CID 6710222
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087

Frequently Asked Questions

What is the IUPAC name of (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol?
The IUPAC name of (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol (CID 154496007) is (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol.
What is the SMILES notation for (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol?
The canonical SMILES for (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol is CC(C)=CC[C@H](O)/C(C)=C\CO.
What is the InChIKey of (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol?
The InChIKey is PTCYLOJKSMVJTR-MBACFSSFSA-N. The full InChI is InChI=1S/C10H18O2/c1-8(2)4-5-10(12)9(3)6-7-11/h4,6,10-12H,5,7H2,1-3H3/b9-6-/t10-/m0/s1.
What are the key properties of (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol?
(2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S)-3,7-dimethylocta-2,6-diene-1,4-diol is sourced from PubChem (CID 154496007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).