(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol

C11H18O2 — CID 139583178

IUPAC(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol
SMILESC/C=C\C(=C\[C@@H]1CC[C@@H](C)O1)CO
InChIInChI=1S/C11H18O2/c1-3-4-10(8-12)7-11-6-5-9(2)13-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7-/t9-,11+/m1/s1
InChIKeyKGMSVLHLHNQUSI-QHRACPPUSA-N
MW182.26 g/mol
LogP2.05
Rot. Bonds3

About (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol

(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol (PubChem CID 139583178) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol.

Molecular Properties

Compound Name(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol
PubChem CID139583178
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol
SMILESC/C=C\C(=C\[C@@H]1CC[C@@H](C)O1)CO
InChIInChI=1S/C11H18O2/c1-3-4-10(8-12)7-11-6-5-9(2)13-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7-/t9-,11+/m1/s1
InChIKeyKGMSVLHLHNQUSI-QHRACPPUSA-N
XLogP2.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol?
The IUPAC name of (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol (CID 139583178) is (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol.
What is the SMILES notation for (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol?
The canonical SMILES for (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol is C/C=C\C(=C\[C@@H]1CC[C@@H](C)O1)CO.
What is the InChIKey of (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol?
The InChIKey is KGMSVLHLHNQUSI-QHRACPPUSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-10(8-12)7-11-6-5-9(2)13-11/h3-4,7,9,11-12H,5-6,8H2,1-2H3/b4-3-,10-7-/t9-,11+/m1/s1.
What are the key properties of (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol?
(Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-[[(2S,5R)-5-methyloxolan-2-yl]methylidene]pent-3-en-1-ol is sourced from PubChem (CID 139583178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).