(Z)-5-methylundec-4-en-6-yn-3-ol

C12H20O — CID 10511599

IUPAC(Z)-5-methylundec-4-en-6-yn-3-ol
SMILESCCCCC#C/C(C)=C\C(O)CC
InChIInChI=1S/C12H20O/c1-4-6-7-8-9-11(3)10-12(13)5-2/h10,12-13H,4-7H2,1-3H3/b11-10-
InChIKeyPKNDTQBOFDODFJ-KHPPLWFESA-N
MW180.29 g/mol
LogP2.90
Rot. Bonds4

About (Z)-5-methylundec-4-en-6-yn-3-ol

(Z)-5-methylundec-4-en-6-yn-3-ol (PubChem CID 10511599) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-5-methylundec-4-en-6-yn-3-ol.

Molecular Properties

Compound Name(Z)-5-methylundec-4-en-6-yn-3-ol
PubChem CID10511599
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(Z)-5-methylundec-4-en-6-yn-3-ol
SMILESCCCCC#C/C(C)=C\C(O)CC
InChIInChI=1S/C12H20O/c1-4-6-7-8-9-11(3)10-12(13)5-2/h10,12-13H,4-7H2,1-3H3/b11-10-
InChIKeyPKNDTQBOFDODFJ-KHPPLWFESA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethyldec-5-yn-4-ol
CID 100982942
undec-6-yn-5-one
CID 11240698
dodec-5-en-7-yn-4-ol
CID 71331023
8-butyl-7-hex-1-ynylpentadec-7-en-5,9-diyne
CID 135010412
non-4-yn-3-one
CID 10887980
pentadeca-5,10-diyne
CID 15530767
(E)-7,8-bis[(E)-pent-1-enyl]tetradec-7-en-5,9-diyne
CID 101157076
undec-3-yn-2-one
CID 15626863
(Z)-3-methyldec-3-en-5-yne
CID 134977329
(Z)-5,6-bis(prop-2-enyl)dodec-5-en-7-yne
CID 102258768
2,2-dimethylnon-4-yn-3-one
CID 10773384
(3S,4S)-octane-3,4-diol
CID 132990515

Frequently Asked Questions

What is the IUPAC name of (Z)-5-methylundec-4-en-6-yn-3-ol?
The IUPAC name of (Z)-5-methylundec-4-en-6-yn-3-ol (CID 10511599) is (Z)-5-methylundec-4-en-6-yn-3-ol.
What is the SMILES notation for (Z)-5-methylundec-4-en-6-yn-3-ol?
The canonical SMILES for (Z)-5-methylundec-4-en-6-yn-3-ol is CCCCC#C/C(C)=C\C(O)CC.
What is the InChIKey of (Z)-5-methylundec-4-en-6-yn-3-ol?
The InChIKey is PKNDTQBOFDODFJ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H20O/c1-4-6-7-8-9-11(3)10-12(13)5-2/h10,12-13H,4-7H2,1-3H3/b11-10-.
What are the key properties of (Z)-5-methylundec-4-en-6-yn-3-ol?
(Z)-5-methylundec-4-en-6-yn-3-ol has a molecular weight of 180.29 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-methylundec-4-en-6-yn-3-ol is sourced from PubChem (CID 10511599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).