(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol

C11H18O2 — CID 10797518

IUPAC(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol
SMILESC=CCO[C@](C)(CC=C)[C@H](O)C=C
InChIInChI=1S/C11H18O2/c1-5-8-11(4,10(12)7-3)13-9-6-2/h5-7,10,12H,1-3,8-9H2,4H3/t10-,11-/m1/s1
InChIKeyKTKLBCGHCDDICF-GHMZBOCLSA-N
MW182.26 g/mol
LogP2.07
Rot. Bonds7

About (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol

(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol (PubChem CID 10797518) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol
PubChem CID10797518
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol
SMILESC=CCO[C@](C)(CC=C)[C@H](O)C=C
InChIInChI=1S/C11H18O2/c1-5-8-11(4,10(12)7-3)13-9-6-2/h5-7,10,12H,1-3,8-9H2,4H3/t10-,11-/m1/s1
InChIKeyKTKLBCGHCDDICF-GHMZBOCLSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.07
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-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
CID 10877518
Diallyl diethylene glycol
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Diallyltriethylene glycol
CID 87841834
(3R,4R)-4-methoxy-2-methylhex-5-en-3-ol
CID 12755469
3-(1-Prop-2-enoxyethyl)penta-1,4-dien-3-ol
CID 85299270
(2R)-2-(3-hydroxybutoxy)-2-methylbut-3-en-1-ol
CID 100946656
(2S)-1-methoxy-3,5-dimethylnona-3,4,8-trien-2-ol
CID 102376969
(3R)-3-[(3R)-2-methylpent-1-en-3-yl]oxyhex-5-en-2-ol
CID 134886585
2-Methyl-4-propan-2-yloxyhex-5-en-3-ol
CID 134905984
4-Propan-2-yloxyhex-5-en-3-ol
CID 134978903
(4R)-4-[(2R)-3,3-dimethylhex-5-en-2-yl]oxyhex-1-en-3-ol
CID 135038994
2-Methyl-2-(3-methylbut-3-enoxy)but-3-en-1-ol
CID 164680699

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol?
The IUPAC name of (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol (CID 10797518) is (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol?
The canonical SMILES for (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol is C=CCO[C@](C)(CC=C)[C@H](O)C=C.
What is the InChIKey of (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol?
The InChIKey is KTKLBCGHCDDICF-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H18O2/c1-5-8-11(4,10(12)7-3)13-9-6-2/h5-7,10,12H,1-3,8-9H2,4H3/t10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol?
(3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol has a molecular weight of 182.26 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-methyl-4-prop-2-enoxyhepta-1,6-dien-3-ol is sourced from PubChem (CID 10797518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).