(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol

C10H20O2 — CID 134978905

IUPAC(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol
SMILESCC(C)O/C=C/CC(O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyQIRSVKCPGJDUGA-FNORWQNLSA-N
MW172.27 g/mol
LogP2.33
Rot. Bonds5

About (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol

(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol (PubChem CID 134978905) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol
PubChem CID134978905
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol
SMILESCC(C)O/C=C/CC(O)C(C)C
InChIInChI=1S/C10H20O2/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+
InChIKeyQIRSVKCPGJDUGA-FNORWQNLSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-5-hexen-3-ol
CID 141746
4-Methyl-5-hexen-3-ol
CID 12496406
(3R,4S)-4-methylhex-5-en-3-ol
CID 11789173
rel-(3R,4R)-4-Methyl-5-hexen-3-ol
CID 12496407
(3S,4R)-4-methylhex-5-en-3-ol
CID 12496408
3,5-Dimethyl-1,6-heptadien-4-ol
CID 537207
(3S)-2-methylhex-5-en-3-ol
CID 7020357
(3R)-2-methylhex-5-en-3-ol
CID 7567311
6-Methylhept-1-en-4-ol
CID 11344031
(3S,4S)-4-methylhex-5-en-3-ol
CID 12496409
(4S)-6-methylhept-1-en-4-ol
CID 12642480
(3R,4S)-2,4-dimethylhex-5-en-3-ol
CID 10606762

Frequently Asked Questions

What is the IUPAC name of (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol?
The IUPAC name of (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol (CID 134978905) is (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol.
What is the SMILES notation for (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol?
The canonical SMILES for (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol is CC(C)O/C=C/CC(O)C(C)C.
What is the InChIKey of (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol?
The InChIKey is QIRSVKCPGJDUGA-FNORWQNLSA-N. The full InChI is InChI=1S/C10H20O2/c1-8(2)10(11)6-5-7-12-9(3)4/h5,7-11H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol?
(E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol has a molecular weight of 172.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-6-propan-2-yloxyhex-5-en-3-ol is sourced from PubChem (CID 134978905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).