2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane

C12H24O — CID 176949364

IUPAC2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
SMILESC/C=C(/CC)OC(CCC)C(C)C
InChIInChI=1S/C12H24O/c1-6-9-12(10(4)5)13-11(7-2)8-3/h7,10,12H,6,8-9H2,1-5H3/b11-7-
InChIKeyMHOGCIPMUWPRSO-XFFZJAGNSA-N
MW184.32 g/mol
LogP4.14
Rot. Bonds6

About 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane

2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane (PubChem CID 176949364) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane.

Molecular Properties

Compound Name2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
PubChem CID176949364
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane
SMILESC/C=C(/CC)OC(CCC)C(C)C
InChIInChI=1S/C12H24O/c1-6-9-12(10(4)5)13-11(7-2)8-3/h7,10,12H,6,8-9H2,1-5H3/b11-7-
InChIKeyMHOGCIPMUWPRSO-XFFZJAGNSA-N
XLogP4.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-methylhexane
CID 23384964
2-(2-hydroxyethoxy)ethanol;2-methyl-3-(2-methylhexan-3-yloxy)hexane
CID 118255040
2-methyl-3-methylperoxyhexane
CID 89198281
2-methylheptan-3-yl hydrogen carbonate
CID 87132104
4-methoxy-2-methylheptan-3-ol
CID 116711593
2,4-dimethyl-5-pent-2-en-3-yloxypent-2-ene
CID 123612539
1-O-(6-methylheptan-2-yl) 5-O-(2-methylhexan-3-yl) pentanedioate
CID 91706101
3-methylheptan-4-yloxysilane
CID 173078778
(Z)-3-[(Z)-hex-2-en-3-yl]oxyhex-2-ene
CID 87913404
2-methyl-3-(2-methyloctadecan-3-yloxy)octadecane
CID 19369989
5-tert-butyl-4,6-dimethylnonane
CID 91526510
1-hydroxybutyl 3-hydroxybutanoate
CID 22612981

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane?
The IUPAC name of 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane (CID 176949364) is 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane.
What is the SMILES notation for 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane?
The canonical SMILES for 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane is C/C=C(/CC)OC(CCC)C(C)C.
What is the InChIKey of 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane?
The InChIKey is MHOGCIPMUWPRSO-XFFZJAGNSA-N. The full InChI is InChI=1S/C12H24O/c1-6-9-12(10(4)5)13-11(7-2)8-3/h7,10,12H,6,8-9H2,1-5H3/b11-7-.
What are the key properties of 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane?
2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane has a molecular weight of 184.32 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(Z)-pent-2-en-3-yl]oxyhexane is sourced from PubChem (CID 176949364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).