2-methyloct-7-ene-3,4-diol

C9H18O2 — CID 103456684

IUPAC2-methyloct-7-ene-3,4-diol
SMILESC=CCCC(O)C(O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-8(10)9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3
InChIKeyIWVDEYNNEDQPKB-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About 2-methyloct-7-ene-3,4-diol

2-methyloct-7-ene-3,4-diol (PubChem CID 103456684) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-methyloct-7-ene-3,4-diol.

Molecular Properties

Compound Name2-methyloct-7-ene-3,4-diol
PubChem CID103456684
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-methyloct-7-ene-3,4-diol
SMILESC=CCCC(O)C(O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-6-8(10)9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3
InChIKeyIWVDEYNNEDQPKB-UHFFFAOYSA-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

(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
3-hydroxy-2-methylhept-6-enal
CID 15601022
(5R,6S)-dec-1-ene-5,6-diol
CID 10511398
(5R,6R)-dec-1-ene-5,6-diol
CID 10844929
(2S,3S)-3-methylhept-6-ene-1,2-diol
CID 102243304
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
5-methyl-6,7-dimethylidenenon-1-ene
CID 142109737
(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
(6E)-2-methylnona-6,8-dien-3-ol
CID 14545535
dec-9-ene-2,3-diol
CID 107008756
(3S)-3-methylhepta-1,6-diene
CID 145257056
hex-5-ene-2-thiol
CID 12575095

Frequently Asked Questions

What is the IUPAC name of 2-methyloct-7-ene-3,4-diol?
The IUPAC name of 2-methyloct-7-ene-3,4-diol (CID 103456684) is 2-methyloct-7-ene-3,4-diol.
What is the SMILES notation for 2-methyloct-7-ene-3,4-diol?
The canonical SMILES for 2-methyloct-7-ene-3,4-diol is C=CCCC(O)C(O)C(C)C.
What is the InChIKey of 2-methyloct-7-ene-3,4-diol?
The InChIKey is IWVDEYNNEDQPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-6-8(10)9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3.
What are the key properties of 2-methyloct-7-ene-3,4-diol?
2-methyloct-7-ene-3,4-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 2-methyloct-7-ene-3,4-diol is sourced from PubChem (CID 103456684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).