(3S,5R)-2-methyloct-7-ene-3,5-diol

C9H18O2 — CID 11367156

IUPAC(3S,5R)-2-methyloct-7-ene-3,5-diol
SMILESC=CC[C@@H](O)C[C@H](O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-8(10)6-9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyJSIXLRUBLQCZLS-BDAKNGLRSA-N
MW158.24 g/mol
LogP1.33
Rot. Bonds5

About (3S,5R)-2-methyloct-7-ene-3,5-diol

(3S,5R)-2-methyloct-7-ene-3,5-diol (PubChem CID 11367156) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is (3S,5R)-2-methyloct-7-ene-3,5-diol.

Molecular Properties

Compound Name(3S,5R)-2-methyloct-7-ene-3,5-diol
PubChem CID11367156
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name(3S,5R)-2-methyloct-7-ene-3,5-diol
SMILESC=CC[C@@H](O)C[C@H](O)C(C)C
InChIInChI=1S/C9H18O2/c1-4-5-8(10)6-9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyJSIXLRUBLQCZLS-BDAKNGLRSA-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

(-)-Ipsenol
CID 93186
2-Methyl-6-methylene-7-octen-4-ol
CID 85712
1,7-Octadien-3-ol, 2,6-dimethyl-
CID 90789
5-Methyl-1-hepten-4-ol
CID 145341
3-Methyloct-7-en-2-ol
CID 10351801
3-Methylundec-1-en-4-ol
CID 12794264
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
CID 162946531
7-Octen-3-ol, 2,6-dimethyl-
CID 565253
(3R,4S,5R)-3,5-dimethylhept-1-en-4-ol
CID 12703995
(4R,5S)-5-methylhept-1-en-4-ol
CID 14396925
2-Methyl-6-hepten-3-ol
CID 144868
7-Octene-2,3-diol, 2,6-dimethyl-
CID 3609265

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-2-methyloct-7-ene-3,5-diol?
The IUPAC name of (3S,5R)-2-methyloct-7-ene-3,5-diol (CID 11367156) is (3S,5R)-2-methyloct-7-ene-3,5-diol.
What is the SMILES notation for (3S,5R)-2-methyloct-7-ene-3,5-diol?
The canonical SMILES for (3S,5R)-2-methyloct-7-ene-3,5-diol is C=CC[C@@H](O)C[C@H](O)C(C)C.
What is the InChIKey of (3S,5R)-2-methyloct-7-ene-3,5-diol?
The InChIKey is JSIXLRUBLQCZLS-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-8(10)6-9(11)7(2)3/h4,7-11H,1,5-6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (3S,5R)-2-methyloct-7-ene-3,5-diol?
(3S,5R)-2-methyloct-7-ene-3,5-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 (3S,5R)-2-methyloct-7-ene-3,5-diol is sourced from PubChem (CID 11367156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).