(3E)-3-ethylideneheptan-1-ol

C9H18O — CID 134993443

IUPAC(3E)-3-ethylideneheptan-1-ol
SMILESC/C=C(/CCO)CCCC
InChIInChI=1S/C9H18O/c1-3-5-6-9(4-2)7-8-10/h4,10H,3,5-8H2,1-2H3/b9-4+
InChIKeyFAYMHHKFBTWTII-RUDMXATFSA-N
MW142.24 g/mol
LogP2.51
Rot. Bonds5

About (3E)-3-ethylideneheptan-1-ol

(3E)-3-ethylideneheptan-1-ol (PubChem CID 134993443) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3E)-3-ethylideneheptan-1-ol.

Molecular Properties

Compound Name(3E)-3-ethylideneheptan-1-ol
PubChem CID134993443
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3E)-3-ethylideneheptan-1-ol
SMILESC/C=C(/CCO)CCCC
InChIInChI=1S/C9H18O/c1-3-5-6-9(4-2)7-8-10/h4,10H,3,5-8H2,1-2H3/b9-4+
InChIKeyFAYMHHKFBTWTII-RUDMXATFSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-ethylidenehexadecane
CID 169207706
(Z)-3-ethylpent-3-en-1-ol
CID 21279610
(6E)-6-ethylidenedec-1-ene
CID 173031906
(Z)-4-ethyl-2-methylideneoct-3-en-1-ol
CID 10975891
(E)-4-(chloromethyl)hex-4-en-1-ol
CID 12869748
2-ethylidenehexane-1,6-diol
CID 173370612
5-butyldec-5-ene
CID 15367252
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
(1,2,3,4-13C4)butan-1-ol
CID 71309697
butan-1-ol
CID 20532113
3-tributylstannylpent-3-en-1-ol
CID 86034571
(E)-3-(hydroxymethyl)hept-2-enenitrile
CID 10844449

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylideneheptan-1-ol?
The IUPAC name of (3E)-3-ethylideneheptan-1-ol (CID 134993443) is (3E)-3-ethylideneheptan-1-ol.
What is the SMILES notation for (3E)-3-ethylideneheptan-1-ol?
The canonical SMILES for (3E)-3-ethylideneheptan-1-ol is C/C=C(/CCO)CCCC.
What is the InChIKey of (3E)-3-ethylideneheptan-1-ol?
The InChIKey is FAYMHHKFBTWTII-RUDMXATFSA-N. The full InChI is InChI=1S/C9H18O/c1-3-5-6-9(4-2)7-8-10/h4,10H,3,5-8H2,1-2H3/b9-4+.
What are the key properties of (3E)-3-ethylideneheptan-1-ol?
(3E)-3-ethylideneheptan-1-ol has a molecular weight of 142.24 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylideneheptan-1-ol is sourced from PubChem (CID 134993443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).