3-butoxyhex-5-en-1-ol

C10H20O2 — CID 90780016

IUPAC3-butoxyhex-5-en-1-ol
SMILESC=CCC(CCO)OCCCC
InChIInChI=1S/C10H20O2/c1-3-5-9-12-10(6-4-2)7-8-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyZRKYAVPERAYTIF-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.13
Rot. Bonds8

About 3-butoxyhex-5-en-1-ol

3-butoxyhex-5-en-1-ol (PubChem CID 90780016) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-butoxyhex-5-en-1-ol.

Molecular Properties

Compound Name3-butoxyhex-5-en-1-ol
PubChem CID90780016
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-butoxyhex-5-en-1-ol
SMILESC=CCC(CCO)OCCCC
InChIInChI=1S/C10H20O2/c1-3-5-9-12-10(6-4-2)7-8-11/h4,10-11H,2-3,5-9H2,1H3
InChIKeyZRKYAVPERAYTIF-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-nonoxypentan-1-ol
CID 141114457
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
12-butoxyoctadecan-1-ol
CID 139752074
4-(methoxymethoxy)non-1-ene
CID 14592865
(2R)-2-[[(4S)-dec-1-en-4-yl]oxymethyl]-3-methylbutan-1-ol
CID 15709561
(4R)-4-(methoxymethoxy)undec-1-ene
CID 102130866
4-methoxynon-1-ene
CID 13284925
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
2-docosan-10-yloxyethanol
CID 173141834
tributyl(dec-1-en-4-yloxymethyl)stannane
CID 71337213
5-docosan-5-yloxypentan-1-ol
CID 139884775
4-ethenoxyundec-1-ene
CID 101420327

Frequently Asked Questions

What is the IUPAC name of 3-butoxyhex-5-en-1-ol?
The IUPAC name of 3-butoxyhex-5-en-1-ol (CID 90780016) is 3-butoxyhex-5-en-1-ol.
What is the SMILES notation for 3-butoxyhex-5-en-1-ol?
The canonical SMILES for 3-butoxyhex-5-en-1-ol is C=CCC(CCO)OCCCC.
What is the InChIKey of 3-butoxyhex-5-en-1-ol?
The InChIKey is ZRKYAVPERAYTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-3-5-9-12-10(6-4-2)7-8-11/h4,10-11H,2-3,5-9H2,1H3.
What are the key properties of 3-butoxyhex-5-en-1-ol?
3-butoxyhex-5-en-1-ol has a molecular weight of 172.27 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxyhex-5-en-1-ol is sourced from PubChem (CID 90780016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).