(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol

C14H22O2 — CID 10376273

IUPAC(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol
SMILESC=C1[C@@H]2CC[C@@H](O2)[C@@]1(C)CC/C=C(/C)CO
InChIInChI=1S/C14H22O2/c1-10(9-15)5-4-8-14(3)11(2)12-6-7-13(14)16-12/h5,12-13,15H,2,4,6-9H2,1,3H3/b10-5-/t12-,13+,14-/m0/s1
InChIKeyGAUYXECXISHCRZ-UPCWHQCGSA-N
MW222.33 g/mol
LogP2.83
Rot. Bonds4

About (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol

(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol (PubChem CID 10376273) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol
PubChem CID10376273
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol
SMILESC=C1[C@@H]2CC[C@@H](O2)[C@@]1(C)CC/C=C(/C)CO
InChIInChI=1S/C14H22O2/c1-10(9-15)5-4-8-14(3)11(2)12-6-7-13(14)16-12/h5,12-13,15H,2,4,6-9H2,1,3H3/b10-5-/t12-,13+,14-/m0/s1
InChIKeyGAUYXECXISHCRZ-UPCWHQCGSA-N
XLogP2.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.83
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

(Z)-2-methyl-5-[(1S,2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 6857681
2-methyl-5-[(2R,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 54154316
2-methyl-5-[(2R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 123863985
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 118978202
5-(2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl)-2-methylpent-2-en-1-ol;(Z)-2-methyl-5-[(1S,4R)-2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl]pent-2-en-1-ol
CID 159532023
(E)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)pent-2-en-1-ol
CID 10559466
(Z)-5-[(1S,3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol;(1S,2R,4R)-2-methyl-2-[(Z)-4-methylhex-3-enyl]-3-methylidenebicyclo[2.2.1]heptane
CID 160916467
(E)-5-[(3S)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-en-1-ol
CID 175773701
(1S)-2-methyl-3-methylidene-2-(4-methylpent-3-enyl)bicyclo[2.2.1]heptane
CID 90472923
(Z,6R)-2-methyl-6-[(1S,5S)-4-methylidene-1-bicyclo[3.1.0]hexanyl]hept-2-en-1-ol
CID 24796073
(1S,2S,4S,7S)-7-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,7-dimethylbicyclo[2.2.1]heptan-2-ol
CID 162928874
5-(2,6-dimethyl-6-bicyclo[3.1.1]heptanyl)-2-methylpent-2-en-1-ol
CID 123668772

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol?
The IUPAC name of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol (CID 10376273) is (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol.
What is the SMILES notation for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol?
The canonical SMILES for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol is C=C1[C@@H]2CC[C@@H](O2)[C@@]1(C)CC/C=C(/C)CO.
What is the InChIKey of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol?
The InChIKey is GAUYXECXISHCRZ-UPCWHQCGSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(9-15)5-4-8-14(3)11(2)12-6-7-13(14)16-12/h5,12-13,15H,2,4,6-9H2,1,3H3/b10-5-/t12-,13+,14-/m0/s1.
What are the key properties of (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol?
(Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol has a molecular weight of 222.33 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-5-[(1R,2S,4S)-2-methyl-3-methylidene-7-oxabicyclo[2.2.1]heptan-2-yl]pent-2-en-1-ol is sourced from PubChem (CID 10376273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).