(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde

C11H18O2 — CID 101133084

IUPAC(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde
SMILESC=C[C@H](C)C[C@@]1(C)CC[C@H](C=O)O1
InChIInChI=1S/C11H18O2/c1-4-9(2)7-11(3)6-5-10(8-12)13-11/h4,8-10H,1,5-7H2,2-3H3/t9-,10+,11+/m0/s1
InChIKeyHSMQCPIKSFFHPT-HBNTYKKESA-N
MW182.26 g/mol
LogP2.34
Rot. Bonds4

About (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde

(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde (PubChem CID 101133084) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde
PubChem CID101133084
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde
SMILESC=C[C@H](C)C[C@@]1(C)CC[C@H](C=O)O1
InChIInChI=1S/C11H18O2/c1-4-9(2)7-11(3)6-5-10(8-12)13-11/h4,8-10H,1,5-7H2,2-3H3/t9-,10+,11+/m0/s1
InChIKeyHSMQCPIKSFFHPT-HBNTYKKESA-N
XLogP2.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3:4,5-Di(2-butenyl)tetrahydrofurfural
CID 31341
1-(2-Methyloxolan-2-yl)pent-4-en-1-one
CID 12736619
1-(2-Methyloxolan-2-yl)hex-5-en-1-one
CID 80166483
1-[(2R,4S,5R)-5-[(2S)-but-3-en-2-yl]-4-methyloxolan-2-yl]ethanone
CID 10877766
4-(3-But-3-enyl-3-methyloxiran-2-yl)-4-oxobutanal
CID 134893579
4,5-Bis(but-2-enyl)oxolane-2-carbaldehyde
CID 74070063
(1R)-1-ethyl-4,5a,6,9,9a,9b-hexahydro-1H-dibenzofuran-4a-carbaldehyde
CID 89335991
5,5-Bis(but-2-enyl)oxolane-2-carbaldehyde
CID 91487558
(2S,4S,5R)-4-methyl-5-[(2R)-2-methylbutyl]-2-prop-2-enyloxolan-3-one
CID 121338909
1-(5,5-Dimethyloxolan-2-yl)but-3-en-1-one
CID 135207912
2-Methyl-5-propan-2-yloxynon-8-enal
CID 139996371
5-[(Z)-but-2-enyl]-5-[(E)-but-2-enyl]oxolane-2-carbaldehyde
CID 140151173

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde?
The IUPAC name of (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde (CID 101133084) is (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde.
What is the SMILES notation for (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde?
The canonical SMILES for (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde is C=C[C@H](C)C[C@@]1(C)CC[C@H](C=O)O1.
What is the InChIKey of (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde?
The InChIKey is HSMQCPIKSFFHPT-HBNTYKKESA-N. The full InChI is InChI=1S/C11H18O2/c1-4-9(2)7-11(3)6-5-10(8-12)13-11/h4,8-10H,1,5-7H2,2-3H3/t9-,10+,11+/m0/s1.
What are the key properties of (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde?
(2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde has a molecular weight of 182.26 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-methyl-5-[(2R)-2-methylbut-3-enyl]oxolane-2-carbaldehyde is sourced from PubChem (CID 101133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).