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

C9H12O2 — CID 44557469

IUPAC(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
SMILESC#CCO[C@H](C=C)[C@H](O)C=C
InChIInChI=1S/C9H12O2/c1-4-7-11-9(6-3)8(10)5-2/h1,5-6,8-10H,2-3,7H2/t8-,9-/m1/s1
InChIKeyMEVVNFHOJCANFG-RKDXNWHRSA-N
MW152.19 g/mol
LogP0.74
Rot. Bonds5

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

(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol (PubChem CID 44557469) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
PubChem CID44557469
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol
SMILESC#CCO[C@H](C=C)[C@H](O)C=C
InChIInChI=1S/C9H12O2/c1-4-7-11-9(6-3)8(10)5-2/h1,5-6,8-10H,2-3,7H2/t8-,9-/m1/s1
InChIKeyMEVVNFHOJCANFG-RKDXNWHRSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-4-(4-phenylmethoxybut-2-ynoxy)hexa-1,5-dien-3-ol
CID 44557551
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
CID 11299800
(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
4-aminohex-1-en-5-yn-3-ol
CID 20545573
(3S,4S,5R,6R)-4,5,6-tris(methoxymethoxy)oct-1-en-7-yn-3-ol
CID 11255150
2-prop-2-ynoxypropan-1-ol
CID 12951375
4-[(2-methylpropan-2-yl)oxy]hexa-1,5-dien-3-ol
CID 123974512
(3S)-5-methyloct-1-en-7-yn-3-ol
CID 170044483
1-ethenoxy-4-(1-prop-2-ynoxyethoxy)butane
CID 11138074
1-prop-2-ynoxyethanamine
CID 22236862
3-(2-bromo-1-prop-2-ynoxyethoxy)prop-1-yne
CID 12853176
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol?
The IUPAC name of (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol (CID 44557469) is (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol.
What is the SMILES notation for (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol?
The canonical SMILES for (3R,4R)-4-prop-2-ynoxyhexa-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-ynoxyhexa-1,5-dien-3-ol?
The InChIKey is MEVVNFHOJCANFG-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H12O2/c1-4-7-11-9(6-3)8(10)5-2/h1,5-6,8-10H,2-3,7H2/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol?
(3R,4R)-4-prop-2-ynoxyhexa-1,5-dien-3-ol has a molecular weight of 152.19 g/mol, XLogP of 0.74, 5 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-ynoxyhexa-1,5-dien-3-ol is sourced from PubChem (CID 44557469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).