5-ethenoxyoctan-1-ol

C10H20O2 — CID 87185132

IUPAC5-ethenoxyoctan-1-ol
SMILESC=COC(CCC)CCCCO
InChIInChI=1S/C10H20O2/c1-3-7-10(12-4-2)8-5-6-9-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyBTTOCDCYVCTSPN-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.48
Rot. Bonds8

About 5-ethenoxyoctan-1-ol

5-ethenoxyoctan-1-ol (PubChem CID 87185132) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 5-ethenoxyoctan-1-ol.

Molecular Properties

Compound Name5-ethenoxyoctan-1-ol
PubChem CID87185132
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name5-ethenoxyoctan-1-ol
SMILESC=COC(CCC)CCCCO
InChIInChI=1S/C10H20O2/c1-3-7-10(12-4-2)8-5-6-9-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyBTTOCDCYVCTSPN-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethenoxyheptane
CID 59883029
5-ethenoxy-13-prop-2-enoxyheptadecane
CID 126747600
4-ethenoxyundec-1-ene
CID 101420327
12-methoxyoctadecan-1-ol
CID 18347175
1-hydroxyheptan-4-yl 2,3-bis(1-hydroxyheptan-4-yloxy)prop-2-enoate
CID 57316550
3-ethenoxy-1,1,1-trimethoxytridecane
CID 152669941
(5S)-5-methyloctan-1-ol
CID 14902476
nonane-1,5,6-triol
CID 174941867
12-butoxyoctadecan-1-ol
CID 139752074
4-prop-2-enoxydecane
CID 102003307
(4S)-4-methoxyundecan-1-ol
CID 53329455
7-methoxynonan-1-ol
CID 91306225

Frequently Asked Questions

What is the IUPAC name of 5-ethenoxyoctan-1-ol?
The IUPAC name of 5-ethenoxyoctan-1-ol (CID 87185132) is 5-ethenoxyoctan-1-ol.
What is the SMILES notation for 5-ethenoxyoctan-1-ol?
The canonical SMILES for 5-ethenoxyoctan-1-ol is C=COC(CCC)CCCCO.
What is the InChIKey of 5-ethenoxyoctan-1-ol?
The InChIKey is BTTOCDCYVCTSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-7-10(12-4-2)8-5-6-9-11/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 5-ethenoxyoctan-1-ol?
5-ethenoxyoctan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxyoctan-1-ol is sourced from PubChem (CID 87185132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).