(Z,2R,7S)-2-methyloct-4-ene-1,7-diol

C9H18O2 — CID 102067168

IUPAC(Z,2R,7S)-2-methyloct-4-ene-1,7-diol
SMILESC[C@@H](CO)C/C=C\C[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(2)11/h3-4,8-11H,5-7H2,1-2H3/b4-3-/t8-,9+/m1/s1
InChIKeyZZPBIRFLSMTPPI-NESOUNQCSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About (Z,2R,7S)-2-methyloct-4-ene-1,7-diol

(Z,2R,7S)-2-methyloct-4-ene-1,7-diol (PubChem CID 102067168) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (Z,2R,7S)-2-methyloct-4-ene-1,7-diol.

Molecular Properties

Compound Name(Z,2R,7S)-2-methyloct-4-ene-1,7-diol
PubChem CID102067168
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(Z,2R,7S)-2-methyloct-4-ene-1,7-diol
SMILESC[C@@H](CO)C/C=C\C[C@H](C)O
InChIInChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(2)11/h3-4,8-11H,5-7H2,1-2H3/b4-3-/t8-,9+/m1/s1
InChIKeyZZPBIRFLSMTPPI-NESOUNQCSA-N
XLogP1.33
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.33
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

(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
(4E)-2,6-dimethylhepta-4,6-dien-1-ol
CID 130146963
2-methyl-6-(3-methyloxiran-2-yl)hex-4-en-1-ol
CID 91084662
(Z)-5-aminopent-4-en-2-ol
CID 130450410
propane-1,2-diol
CID 23506506
(E,2R)-non-4-en-2-ol
CID 131232400
methanol;(2S)-2-methylpent-4-en-1-ol
CID 143099829
(E)-5-methoxy-2-methylhex-4-en-1-ol
CID 142061120
(2R,4E)-hepta-4,6-dien-2-ol
CID 101213551
2-methyl-7-trimethylsilylhept-4-en-6-yn-1-ol
CID 54245932
propane-1,2-diol;silver
CID 158521790
ethane;2-methylpropane-1,3-diol
CID 87127502

Frequently Asked Questions

What is the IUPAC name of (Z,2R,7S)-2-methyloct-4-ene-1,7-diol?
The IUPAC name of (Z,2R,7S)-2-methyloct-4-ene-1,7-diol (CID 102067168) is (Z,2R,7S)-2-methyloct-4-ene-1,7-diol.
What is the SMILES notation for (Z,2R,7S)-2-methyloct-4-ene-1,7-diol?
The canonical SMILES for (Z,2R,7S)-2-methyloct-4-ene-1,7-diol is C[C@@H](CO)C/C=C\C[C@H](C)O.
What is the InChIKey of (Z,2R,7S)-2-methyloct-4-ene-1,7-diol?
The InChIKey is ZZPBIRFLSMTPPI-NESOUNQCSA-N. The full InChI is InChI=1S/C9H18O2/c1-8(7-10)5-3-4-6-9(2)11/h3-4,8-11H,5-7H2,1-2H3/b4-3-/t8-,9+/m1/s1.
What are the key properties of (Z,2R,7S)-2-methyloct-4-ene-1,7-diol?
(Z,2R,7S)-2-methyloct-4-ene-1,7-diol has a molecular weight of 158.24 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,7S)-2-methyloct-4-ene-1,7-diol is sourced from PubChem (CID 102067168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).