3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane

C16H34O2 — CID 174687264

IUPAC3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
SMILESCC(C)=CCCC(C)CCO.CC(C)OC(C)C
InChIInChI=1S/C10H20O.C6H14O/c1-9(2)5-4-6-10(3)7-8-11;1-5(2)7-6(3)4/h5,10-11H,4,6-8H2,1-3H3;5-6H,1-4H3
InChIKeyOLFMRLBSAYSLHQ-UHFFFAOYSA-N
MW258.45 g/mol
LogP4.57
Rot. Bonds7

About 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane

3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane (PubChem CID 174687264) has the molecular formula C16H34O2 and a molecular weight of 258.45 g/mol. Its IUPAC name is 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane.

Molecular Properties

Compound Name3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
PubChem CID174687264
Molecular FormulaC16H34O2
Molecular Weight258.45 g/mol
Exact Mass258.26
IUPAC Name3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
SMILESCC(C)=CCCC(C)CCO.CC(C)OC(C)C
InChIInChI=1S/C10H20O.C6H14O/c1-9(2)5-4-6-10(3)7-8-11;1-5(2)7-6(3)4/h5,10-11H,4,6-8H2,1-3H3;5-6H,1-4H3
InChIKeyOLFMRLBSAYSLHQ-UHFFFAOYSA-N
XLogP4.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91-tricosamethyldononaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90-docosaen-1-ol
CID 139698175
(6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-6,10,14,18,22,26,30,34,38,42,46-undecaen-1-ol
CID 91820232
3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87-docosamethyloctaoctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86-henicosaen-1-ol
CID 139698181
(6E,10E,14E,18E,22E,26Z,30E,34E,38E,42E,46Z,50E,54E,58E,62E,66E,70E,74Z)-3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79-icosamethyloctaconta-6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78-nonadecaen-1-ol
CID 11818896
3,7-dimethyloct-6-en-1-ol;hexanal
CID 88603702
acetic acid;butanoic acid;3,7-dimethyloct-6-en-1-ol
CID 174503934
(Z,3S)-3,7-dimethylnon-6-en-1-ol
CID 156871638
(Z)-2,6-dimethyloct-2-ene-1,8-diol;methane
CID 175717951
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
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CID 12578605

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane?
The IUPAC name of 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane (CID 174687264) is 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane.
What is the SMILES notation for 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane?
The canonical SMILES for 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane is CC(C)=CCCC(C)CCO.CC(C)OC(C)C.
What is the InChIKey of 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane?
The InChIKey is OLFMRLBSAYSLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C6H14O/c1-9(2)5-4-6-10(3)7-8-11;1-5(2)7-6(3)4/h5,10-11H,4,6-8H2,1-3H3;5-6H,1-4H3.
What are the key properties of 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane?
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane has a molecular weight of 258.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane is sourced from PubChem (CID 174687264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).