(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol

C12H22O — CID 58129544

IUPAC(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
SMILESC=CC[C@H](O)/C(C)=C\C(CC)CC
InChIInChI=1S/C12H22O/c1-5-8-12(13)10(4)9-11(6-2)7-3/h5,9,11-13H,1,6-8H2,2-4H3/b10-9-/t12-/m0/s1
InChIKeyUDSDPUNCEDURTK-PRDAAYKISA-N
MW182.31 g/mol
LogP3.31
Rot. Bonds6

About (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol

(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol (PubChem CID 58129544) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol.

Molecular Properties

Compound Name(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
PubChem CID58129544
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol
SMILESC=CC[C@H](O)/C(C)=C\C(CC)CC
InChIInChI=1S/C12H22O/c1-5-8-12(13)10(4)9-11(6-2)7-3/h5,9,11-13H,1,6-8H2,2-4H3/b10-9-/t12-/m0/s1
InChIKeyUDSDPUNCEDURTK-PRDAAYKISA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol?
The IUPAC name of (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol (CID 58129544) is (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol.
What is the SMILES notation for (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol?
The canonical SMILES for (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol is C=CC[C@H](O)/C(C)=C\C(CC)CC.
What is the InChIKey of (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol?
The InChIKey is UDSDPUNCEDURTK-PRDAAYKISA-N. The full InChI is InChI=1S/C12H22O/c1-5-8-12(13)10(4)9-11(6-2)7-3/h5,9,11-13H,1,6-8H2,2-4H3/b10-9-/t12-/m0/s1.
What are the key properties of (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol?
(4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol has a molecular weight of 182.31 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5Z)-7-ethyl-5-methylnona-1,5-dien-4-ol is sourced from PubChem (CID 58129544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).