(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol

C14H26O2 — CID 10443713

IUPAC(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)CC)[C@@H](O)CC
InChIInChI=1S/C14H26O2/c1-5-11(13(15)7-3)9-10-12(6-2)14(16)8-4/h5-6,11-16H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-
InChIKeyXNMDDEHUQZUUER-LVEBTZEWSA-N
MW226.36 g/mol
LogP2.91
Rot. Bonds9

About (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol

(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol (PubChem CID 10443713) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol.

Molecular Properties

Compound Name(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol
PubChem CID10443713
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol
SMILESC=C[C@H](CC[C@H](C=C)[C@H](O)CC)[C@@H](O)CC
InChIInChI=1S/C14H26O2/c1-5-11(13(15)7-3)9-10-12(6-2)14(16)8-4/h5-6,11-16H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-
InChIKeyXNMDDEHUQZUUER-LVEBTZEWSA-N
XLogP2.91
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
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,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol?
The IUPAC name of (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol (CID 10443713) is (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol.
What is the SMILES notation for (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol?
The canonical SMILES for (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol is C=C[C@H](CC[C@H](C=C)[C@H](O)CC)[C@@H](O)CC.
What is the InChIKey of (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol?
The InChIKey is XNMDDEHUQZUUER-LVEBTZEWSA-N. The full InChI is InChI=1S/C14H26O2/c1-5-11(13(15)7-3)9-10-12(6-2)14(16)8-4/h5-6,11-16H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-.
What are the key properties of (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol?
(3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol has a molecular weight of 226.36 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,7S,8S)-4,7-bis(ethenyl)decane-3,8-diol is sourced from PubChem (CID 10443713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).