5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol

C14H22O — CID 10774684

IUPAC5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
SMILESC=CCCC(O)(C#CC(C)C)CCC=C
InChIInChI=1S/C14H22O/c1-5-7-10-14(15,11-8-6-2)12-9-13(3)4/h5-6,13,15H,1-2,7-8,10-11H2,3-4H3
InChIKeyLIBJVPWYVMNZMW-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.31
Rot. Bonds6

About 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol

5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol (PubChem CID 10774684) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol.

Molecular Properties

Compound Name5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
PubChem CID10774684
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol
SMILESC=CCCC(O)(C#CC(C)C)CCC=C
InChIInChI=1S/C14H22O/c1-5-7-10-14(15,11-8-6-2)12-9-13(3)4/h5-6,13,15H,1-2,7-8,10-11H2,3-4H3
InChIKeyLIBJVPWYVMNZMW-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 174059005
4-propan-2-ylocta-1,7-dien-4-ol;dihydrochloride
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(4S)-4-propan-2-yloct-7-en-4-ol
CID 59911272
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
3-ethyl-2,6-dimethylhept-4-yn-3-ol
CID 88969686
2,6-dimethyldec-9-en-2-ol
CID 154162071
(4S)-1-(diethylamino)-4-methyloct-7-en-2-yn-4-ol
CID 2054254
4-propyloct-7-ene-3,4-diol
CID 57028437
2-methyl-2-(propan-2-ylamino)hex-5-enenitrile
CID 104655874
(2S)-3-methyl-3-(methylamino)oct-7-en-2-ol
CID 155337272
3-hydroxy-3-methyl-2-methylidene-1-tri(propan-2-yl)silylhept-6-en-1-one
CID 10662777
5-methoxy-5,6-dimethylhept-1-ene
CID 23385174

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol?
The IUPAC name of 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol (CID 10774684) is 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol.
What is the SMILES notation for 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol?
The canonical SMILES for 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol is C=CCCC(O)(C#CC(C)C)CCC=C.
What is the InChIKey of 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol?
The InChIKey is LIBJVPWYVMNZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-5-7-10-14(15,11-8-6-2)12-9-13(3)4/h5-6,13,15H,1-2,7-8,10-11H2,3-4H3.
What are the key properties of 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol?
5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol has a molecular weight of 206.33 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 5-(3-methylbut-1-ynyl)nona-1,8-dien-5-ol is sourced from PubChem (CID 10774684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).