(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol

C9H14O2 — CID 102154253

IUPAC(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol
SMILESC=CCO[C@H](C=C)[C@H](O)C=C
InChIInChI=1S/C9H14O2/c1-4-7-11-9(6-3)8(10)5-2/h4-6,8-10H,1-3,7H2/t8-,9-/m1/s1
InChIKeyYERYUAPROHPGDZ-RKDXNWHRSA-N
MW154.21 g/mol
LogP1.29
Rot. Bonds6

About (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol

(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol (PubChem CID 102154253) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol
PubChem CID102154253
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol
SMILESC=CCO[C@H](C=C)[C@H](O)C=C
InChIInChI=1S/C9H14O2/c1-4-7-11-9(6-3)8(10)5-2/h4-6,8-10H,1-3,7H2/t8-,9-/m1/s1
InChIKeyYERYUAPROHPGDZ-RKDXNWHRSA-N
XLogP1.29
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol?
The IUPAC name of (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol (CID 102154253) is (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol?
The canonical SMILES for (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol is C=CCO[C@H](C=C)[C@H](O)C=C.
What is the InChIKey of (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol?
The InChIKey is YERYUAPROHPGDZ-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14O2/c1-4-7-11-9(6-3)8(10)5-2/h4-6,8-10H,1-3,7H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol?
(3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol has a molecular weight of 154.21 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-prop-2-enoxyhexa-1,5-dien-3-ol is sourced from PubChem (CID 102154253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).