(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol

C11H20O — CID 129379674

IUPAC(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
SMILESCC(C)=CC[C@H](C)/C(C)=C\CO
InChIInChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h5,7,10,12H,6,8H2,1-4H3/b11-7-/t10-/m0/s1
InChIKeyZPIKDJYPRJOHLN-QBQSQJOESA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds4

About (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol

(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol (PubChem CID 129379674) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
PubChem CID129379674
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol
SMILESCC(C)=CC[C@H](C)/C(C)=C\CO
InChIInChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h5,7,10,12H,6,8H2,1-4H3/b11-7-/t10-/m0/s1
InChIKeyZPIKDJYPRJOHLN-QBQSQJOESA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-3,7-dimethylocta-2,6-diene-1,4-diol
CID 154496007
(E)-3-methyl(411C)but-2-en-1-ol
CID 11693897
3-methylbut-2-en-1-ol;hydrate
CID 172859141
ethyl (2Z)-3,4,7-trimethylocta-2,6-dienoate
CID 14526716
2,8-dimethyl-5-(3-methylbut-2-enyl)nona-2,7-diene
CID 58242815
(5R)-2,5,8-trimethylnon-7-en-4-one
CID 15382477
5,8-dimethylnon-7-en-4-one
CID 118393642
3-methylbut-2-en-1-ol;2-methylprop-1-ene
CID 87257087
(3R)-2,6-dimethylhept-5-en-3-ol
CID 141014300
(2E)-4-(benzenesulfonyl)-3,7-dimethylocta-2,6-dien-1-ol
CID 13130131
(3R,4S)-3,7-dimethyloct-6-ene-1,4-diol
CID 162944797

Frequently Asked Questions

What is the IUPAC name of (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol?
The IUPAC name of (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol (CID 129379674) is (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol is CC(C)=CC[C@H](C)/C(C)=C\CO.
What is the InChIKey of (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol?
The InChIKey is ZPIKDJYPRJOHLN-QBQSQJOESA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)5-6-10(3)11(4)7-8-12/h5,7,10,12H,6,8H2,1-4H3/b11-7-/t10-/m0/s1.
What are the key properties of (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol?
(2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4S)-3,4,7-trimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 129379674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).