(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane

C18H34P2 — CID 140850102

IUPAC(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane
SMILESCC1CC[C@@H](C)P1/C(=C\P1[C@H](C)CC[C@H]1C)C(C)(C)C
InChIInChI=1S/C18H34P2/c1-13-8-9-14(2)19(13)12-17(18(5,6)7)20-15(3)10-11-16(20)4/h12-16H,8-11H2,1-7H3/b17-12+/t13-,14-,15-,16?,20?/m1/s1
InChIKeyCUBDCRGNVOBHNS-VDKRRXNXSA-N
MW312.42 g/mol
LogP6.98
Rot. Bonds2

About (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane

(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane (PubChem CID 140850102) has the molecular formula C18H34P2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane.

Molecular Properties

Compound Name(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane
PubChem CID140850102
Molecular FormulaC18H34P2
Molecular Weight312.42 g/mol
Exact Mass312.21
IUPAC Name(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane
SMILESCC1CC[C@@H](C)P1/C(=C\P1[C@H](C)CC[C@H]1C)C(C)(C)C
InChIInChI=1S/C18H34P2/c1-13-8-9-14(2)19(13)12-17(18(5,6)7)20-15(3)10-11-16(20)4/h12-16H,8-11H2,1-7H3/b17-12+/t13-,14-,15-,16?,20?/m1/s1
InChIKeyCUBDCRGNVOBHNS-VDKRRXNXSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane?
The IUPAC name of (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane (CID 140850102) is (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane.
What is the SMILES notation for (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane?
The canonical SMILES for (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane is CC1CC[C@@H](C)P1/C(=C\P1[C@H](C)CC[C@H]1C)C(C)(C)C.
What is the InChIKey of (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane?
The InChIKey is CUBDCRGNVOBHNS-VDKRRXNXSA-N. The full InChI is InChI=1S/C18H34P2/c1-13-8-9-14(2)19(13)12-17(18(5,6)7)20-15(3)10-11-16(20)4/h12-16H,8-11H2,1-7H3/b17-12+/t13-,14-,15-,16?,20?/m1/s1.
What are the key properties of (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane?
(2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane has a molecular weight of 312.42 g/mol, XLogP of 6.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(Z)-1-[(2R,5R)-2,5-dimethylphospholan-1-yl]-3,3-dimethylbut-1-en-2-yl]-2,5-dimethylphospholane is sourced from PubChem (CID 140850102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).